Murcko scaffold
Ring system with 4 rings and 23 atoms
28 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 23
- Chemicals
- 28
- With full pages
- 5
Scaffold SMILES
O=c1c(C=Nc2ccccc2)c[nH]n1-c1nc2ccccc2s1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold O=c1c(C=Nc2ccccc2)c[nH]n1-c1nc2ccccc2s1](/scaffold/XLPFPILNNSXZHF-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 28 of 28 chemicals
![2-(1,3-Benzothiazol-2-yl)-4-[1-(2-hydroxy-5-methylanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one chemical structure, C20H15F3N4O2S, CAS 354546-39-7](/s/STRRJRLVUXOZIA-UHFFFAOYSA-N.svg)
2-(1,3-Benzothiazol-2-yl)-4-[1-(2-hydroxy-5-methylanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CAS 354546-39-7C20H15F3N4O2S
![Methyl [1-(1,3-benzothiazol-2-yl)-5-oxo-4-(4-toluidinomethylene)-4,5-dihydro-1H-pyrazol-3-yl]acetate chemical structure, C21H18N4O3S, CAS 523992-09-8](/s/GFQBCYSQTLCFHB-UHFFFAOYSA-N.svg)
Methyl [1-(1,3-benzothiazol-2-yl)-5-oxo-4-(4-toluidinomethylene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
CAS 523992-09-8C21H18N4O3S
![(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-(3,4-dimethoxyanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one chemical structure, C21H17F3N4O3S, CAS 337339-96-5](/s/GGMIINOTAFVKPV-UHFFFAOYSA-N.svg)
(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-(3,4-dimethoxyanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
CAS 337339-96-5C21H17F3N4O3S
![(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one chemical structure, C19H12ClF3N4O2S, CAS 353475-33-9](/s/KFQYFYCHGIKLOS-UHFFFAOYSA-N.svg)
(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
CAS 353475-33-9C19H12ClF3N4O2S
![(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(3,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C21H20N4O3S, CAS 432502-52-8](/s/QUZQLFQASXMBPS-UHFFFAOYSA-N.svg)
(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(3,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CAS 432502-52-8C21H20N4O3S
![(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C21H20N4O3S, CAS 442569-96-2](/s/WVSCOMUBELDTJQ-UHFFFAOYSA-N.svg)
(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CAS 442569-96-2C21H20N4O3S
![Dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate chemical structure, C25H24N4O5S, CAS 432536-40-8](/s/SLXLHXGTIFSTQK-UHFFFAOYSA-N.svg)
Dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)isophthalate
CAS 432536-40-8C25H24N4O5S
![(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(2,4-dimethoxyphenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one chemical structure, C21H17F3N4O3S, CAS 431992-22-2](/s/YWEUPTVIMCCURN-UHFFFAOYSA-N.svg)
(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(2,4-dimethoxyphenyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CAS 431992-22-2C21H17F3N4O3S
![Methyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate chemical structure, C21H18N4O3S, CAS 516455-54-2](/s/JZYVTHRUTPMEHU-UHFFFAOYSA-N.svg)
Methyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
CAS 516455-54-2C21H18N4O3S
![Dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate chemical structure, C23H20N4O5S, CAS 433236-59-0](/s/BORNKKNHMNNXDN-UHFFFAOYSA-N.svg)
Dimethyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]ethylidene}amino)benzene-1,4-dicarboxylate
CAS 433236-59-0C23H20N4O5S
![2-(1,3-Benzothiazol-2-yl)-4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one chemical structure, C20H15F3N4OS, CAS 353774-34-2](/s/SOFRGUCIAYBQAG-UHFFFAOYSA-N.svg)
2-(1,3-Benzothiazol-2-yl)-4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CAS 353774-34-2C20H15F3N4OS
![Methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxopyrazol-3-yl]acetate chemical structure, C21H17ClN4O3S, CAS 521327-92-4](/s/TUFXMLNRKGQXIH-UHFFFAOYSA-N.svg)
Methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-4-[1-(4-chloroanilino)ethylidene]-5-oxopyrazol-3-yl]acetate
CAS 521327-92-4C21H17ClN4O3S
![2-(1,3-Benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one chemical structure, C20H15F3N4OS, CAS 354542-81-7](/s/GRKOSGVULGEBSX-UHFFFAOYSA-N.svg)
2-(1,3-Benzothiazol-2-yl)-4-[(4-ethylanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CAS 354542-81-7C20H15F3N4OS
![4-[[(1E)-1-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]ethyl]amino]benzenesulfonamide chemical structure, C19H14F3N5O3S2, CAS 337502-97-3](/s/PIKDPJLAFZNRKW-UHFFFAOYSA-N.svg)
4-[[(1E)-1-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]ethyl]amino]benzenesulfonamide
CAS 337502-97-3C19H14F3N5O3S2
![(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one chemical structure, C20H15F3N4O2S, CAS 371933-13-0](/s/DCWDSMFUKRCKPN-UHFFFAOYSA-N.svg)
(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
CAS 371933-13-0C20H15F3N4O2S
![(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-(2,4-dichloroanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one chemical structure, C19H11Cl2F3N4OS, CAS 362500-51-4](/s/BETYOXJNJZIAOI-UHFFFAOYSA-N.svg)
(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-(2,4-dichloroanilino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
CAS 362500-51-4C19H11Cl2F3N4OS
![2-(1,3-Benzothiazol-2-yl)-4-[(1E)-N-(3-chloro-4-fluorophenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one chemical structure, C19H11ClF4N4OS, CAS 362496-31-9](/s/FZTMBKLMYLASBT-UHFFFAOYSA-N.svg)
2-(1,3-Benzothiazol-2-yl)-4-[(1E)-N-(3-chloro-4-fluorophenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
CAS 362496-31-9C19H11ClF4N4OS
![2-(1,3-Benzothiazol-2-yl)-4-[(1E)-N-(4-ethylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one chemical structure, C21H17F3N4OS, CAS 371220-60-9](/s/TVNMDBKZYKYGOE-UHFFFAOYSA-N.svg)
2-(1,3-Benzothiazol-2-yl)-4-[(1E)-N-(4-ethylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
CAS 371220-60-9C21H17F3N4OS
![2-(1,3-Benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one chemical structure, C20H14ClF3N4O2S, CAS 353773-39-4](/s/ZMSWTDXPEHHAJV-UHFFFAOYSA-N.svg)
2-(1,3-Benzothiazol-2-yl)-4-[1-(5-chloro-2-hydroxyanilino)propylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CAS 353773-39-4C20H14ClF3N4O2S
![Methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate chemical structure, C22H20N4O3S, CAS 515875-11-3](/s/ZXMCPFFTMJWVBV-UHFFFAOYSA-N.svg)
Methyl (1-(1,3-benzothiazol-2-yl)-4-{1-[(4-methylphenyl)amino]ethylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)acetate
CAS 515875-11-3C22H20N4O3S
![2-[(4E)-1-(1,3-Benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-3-pyrazolyl]acetic acid methyl ester chemical structure, C22H20N4O4S, CAS 521327-93-5](/s/CWQBNTNIMPDAEK-UHFFFAOYSA-N.svg)
2-[(4E)-1-(1,3-Benzothiazol-2-yl)-4-[1-(4-methoxyanilino)ethylidene]-5-oxo-3-pyrazolyl]acetic acid methyl ester
CAS 521327-93-5C22H20N4O4S
![2-(1,3-Benzothiazol-2-yl)-4-[C-ethyl-N-(4-methoxyphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one chemical structure, C21H17F3N4O2S, CAS 353772-19-7](/s/LVIVRHLTRAQGTI-UHFFFAOYSA-N.svg)
2-(1,3-Benzothiazol-2-yl)-4-[C-ethyl-N-(4-methoxyphenyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CAS 353772-19-7C21H17F3N4O2S
![4-({(1Z)-1-[1-(1,3-Benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzenesulfonamide chemical structure, C19H17N5O3S2, CAS 879053-86-8](/s/UTGXEFDJLFOOBR-UHFFFAOYSA-N.svg)
4-({(1Z)-1-[1-(1,3-Benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzenesulfonamide
CAS 879053-86-8C19H17N5O3S2
![(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(4-chlorophenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C19H15ClN4OS, CAS 884418-91-1](/s/LFGHCYXOQNPPDU-UHFFFAOYSA-N.svg)
(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(4-chlorophenyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CAS 884418-91-1C19H15ClN4OS
- Methyl 4-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate884421-49-2C21H18N4O3S
- (4Z)-2-(1,3-Benzothiazol-2-yl)-5-methyl-4-(1-{[2-(trifluoromethoxy)phenyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one884399-20-6C20H15F3N4O2S
- (4Z)-2-(1,3-Benzothiazol-2-yl)-5-methyl-4-(1-{[3-(trifluoromethoxy)phenyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one884399-57-9C20H15F3N4O2S
- Methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-{[3-(trifluoromethoxy)phenyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate884419-38-9C22H17F3N4O4S
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=c1c(C=Nc2ccccc2)c[nH]n1-c1nc2ccccc2[nH]1](/scaffold/YBDADFIENCVYJA-UHFFFAOYSA-N/structure.svg)
