Murcko scaffold
Ring system with 3 rings and 18 atoms
51 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 18
- Chemicals
- 51
- With full pages
- 8
Scaffold SMILES
C(=NN=c1[nH]c2ccccc2s1)c1ccccc1
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 C(=NN=c1[nH]c2ccccc2s1)c1ccccc1](/scaffold/WVRVVJMZWWJYEM-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 48 of 51 chemicals
![2-[2-Methoxy-4-[[(3-methyl-3H-benzothiazol-2-ylidene)hydrazono]methyl]phenoxy]ethyl methacrylate chemical structure, C22H23N3O4S, CAS 47660-35-5](/s/RNPYQIUMSQHJTO-UHFFFAOYSA-N.svg)
2-[2-Methoxy-4-[[(3-methyl-3H-benzothiazol-2-ylidene)hydrazono]methyl]phenoxy]ethyl methacrylate
CAS 47660-35-5C22H23N3O4S
![N-[(4-Propan-2-ylphenyl)methylideneamino]benzothiazol-2-amine chemical structure, C17H17N3S, CAS 6277-24-3](/s/PDTYPSGPNIQEEG-UHFFFAOYSA-N.svg)
N-[(4-Propan-2-ylphenyl)methylideneamino]benzothiazol-2-amine
CAS 6277-24-3C17H17N3S
![2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid chemical structure, C30H43N3O3S2, CAS 5167-52-2](/s/SIARGXKBQYELBL-UHFFFAOYSA-N.svg)
2-{[(3-Hexadecyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}benzene-1-sulfonic acid
CAS 5167-52-2C30H43N3O3S2
3-Methyl-2(3H)-benzothiazolone 2-(1-phenylethylidene)hydrazone
CAS 21418-23-5C16H15N3S
4-(Diethylamino)-2-hydroxybenzaldehyde 2-(2-benzothiazolyl)hydrazone
CAS 71087-01-9C18H20N4OS
4-Nitrobenzaldehyde 1,3-benzothiazol-2-ylhydrazone
CAS 152407-52-8C14H10N4O2S
![2-[(2E)-2-(2-Nitrobenzylidene)hydrazinyl]-1,3-benzothiazole chemical structure, C14H10N4O2S, CAS 113334-48-8](/s/QMMWOFZCOSPFMY-OQLLNIDSSA-N.svg)
2-[(2E)-2-(2-Nitrobenzylidene)hydrazinyl]-1,3-benzothiazole
CAS 113334-48-8C14H10N4O2S
3,5-Dimethoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone
CAS 292030-57-0C16H15N3O2S
Benzaldehyde, 2,4-dichloro-, 2-benzothiazolylhydrazone
CAS 73664-52-5C14H9Cl2N3S
![N-[(E)-(2-Chloro-6-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-amine chemical structure, C14H9ClFN3S, CAS 363601-29-0](/s/SFUKDBJCMMOBBG-CAOOACKPSA-N.svg)
N-[(E)-(2-Chloro-6-fluorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CAS 363601-29-0C14H9ClFN3S
4-Bromobenzaldehyde (3-methyl-1,3-benzothiazol-2(3H)-ylidene)hydrazone
CAS 325479-43-4C15H12BrN3S
![(2Z)-3-Methyl-2-{(2E)-[3-(trifluoromethyl)benzylidene]hydrazinylidene}-2,3-dihydro-1,3-benzothiazole chemical structure, C16H12F3N3S, CAS 399011-11-1](/s/RKOKCKLHOCNSJQ-MRCVDQKJSA-N.svg)
(2Z)-3-Methyl-2-{(2E)-[3-(trifluoromethyl)benzylidene]hydrazinylidene}-2,3-dihydro-1,3-benzothiazole
CAS 399011-11-1C16H12F3N3S
![(2Z)-2-[(2E)-(2,4-Dimethoxybenzylidene)hydrazinylidene]-3-methyl-2,3-dihydro-1,3-benzothiazole chemical structure, C17H17N3O2S, CAS 6240-49-9](/s/LYZZFMVUZAFKAK-ONMBGNKZSA-N.svg)
(2Z)-2-[(2E)-(2,4-Dimethoxybenzylidene)hydrazinylidene]-3-methyl-2,3-dihydro-1,3-benzothiazole
CAS 6240-49-9C17H17N3O2S
![(2Z)-2-[(2E)-(2,3-Dichlorobenzylidene)hydrazinylidene]-3-methyl-2,3-dihydro-1,3-benzothiazole chemical structure, C15H11Cl2N3S, CAS 399010-78-7](/s/WVWYWBDVRILKAY-DOSZSBMMSA-N.svg)
(2Z)-2-[(2E)-(2,3-Dichlorobenzylidene)hydrazinylidene]-3-methyl-2,3-dihydro-1,3-benzothiazole
CAS 399010-78-7C15H11Cl2N3S
![2-[(2E)-2-(2-Methoxybenzylidene)hydrazinyl]-1,3-benzothiazole chemical structure, C15H13N3OS](/s/UIMGGMPJDONFBG-YBEGLDIGSA-N.svg)
2-[(2E)-2-(2-Methoxybenzylidene)hydrazinyl]-1,3-benzothiazole
C15H13N3OS
2-Fluorobenzaldehyde 1,3-benzothiazol-2-ylhydrazone
CAS 328021-71-2C14H10FN3S
N-Benzothiazol-2-yl-N'-benzylidene-hydrazine
C14H11N3S
![[4-(Benzothiazol-2-yl-hydrazonomethyl)-phenyl]-dimethyl-amine chemical structure, C16H16N4S, CAS 32828-62-9](/s/OQMDXWUNOLJWGZ-BOPFTXTBSA-N.svg)
[4-(Benzothiazol-2-yl-hydrazonomethyl)-phenyl]-dimethyl-amine
CAS 32828-62-9C16H16N4S
![N-[(E)-(2-Chlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine chemical structure, C14H10ClN3S, CAS 3673-46-9](/s/VARDUVFBMGLZML-CXUHLZMHSA-N.svg)
N-[(E)-(2-Chlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
CAS 3673-46-9C14H10ClN3S
N-Benzothiazol-2-yl-N'-(4-methoxybenzylidene)hydrazine
CAS 5347-22-8C15H13N3OS
![N-[(E)-[4-(Diethylamino)phenyl]methylideneamino]-1,3-benzothiazol-2-amine chemical structure, C18H20N4S, CAS 97509-30-3](/s/FFXOFPUZMCEXIC-CPNJWEJPSA-N.svg)
N-[(E)-[4-(Diethylamino)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CAS 97509-30-3C18H20N4S
![N-[4-[(E)-(1,3-Benzothiazol-2-ylhydrazinylidene)methyl]phenyl]acetamide chemical structure, C16H14N4OS, CAS 5347-23-9](/s/QTTRUZMZMHQLEN-LICLKQGHSA-N.svg)
N-[4-[(E)-(1,3-Benzothiazol-2-ylhydrazinylidene)methyl]phenyl]acetamide
CAS 5347-23-9C16H14N4OS
![N-[(E)-(4-Propan-2-ylphenyl)methylideneamino]-1,3-benzothiazol-2-amine chemical structure, C17H17N3S](/s/PDTYPSGPNIQEEG-WOJGMQOQSA-N.svg)
N-[(E)-(4-Propan-2-ylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
C17H17N3S
![(E)-2-(2-(2-Methoxybenzylidene)hydrazinyl)benzo[d]thiazole chemical structure, C15H13N3OS, CAS 62164-40-3](/s/UIMGGMPJDONFBG-MHWRWJLKSA-N.svg)
(E)-2-(2-(2-Methoxybenzylidene)hydrazinyl)benzo[d]thiazole
CAS 62164-40-3C15H13N3OS
- RefChem:38227833119-82-3C14H10ClN3S
- 2-[(E)-2-[(3,4-Dichlorophenyl)methylidene]hydrazin-1-yl]-1,3-benzothiazole305849-56-3C14H9Cl2N3S
- 2-[(2E)-2-(2,3-Dimethoxybenzylidene)hydrazinyl]-1,3-benzothiazole6298-13-1C16H15N3O2S
- 4-{(E)-[2-(1,3-Benzothiazol-2-yl)hydrazinylidene]methyl}-N,N-bis(2-chloroethyl)aniline802-58-4C18H18Cl2N4S
- N-[(E)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-1,3-benzothiazol-2-amine94384-26-6C19H20Cl2N4S
- Benzaldehyde, 2-(2-benzothiazolyl)hydrazone16586-67-7C14H11N3S
- 4-(Trifluoromethyl)benzaldehyde 1,3-benzothiazol-2-ylhydrazone218901-02-1C15H10F3N3S
- 4-Fluorobenzaldehyde 1,3-benzothiazol-2-ylhydrazone386762-42-1C14H10FN3S
- 3,4-Dimethoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone321973-73-3C16H15N3O2S
- 2-[2-[(2,5-Dimethoxyphenyl)methylidene]hydrazin-1-yl]-1,3-benzothiazole305849-54-1C16H15N3O2S
- 3-Nitro-4-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone292029-67-5C15H12N4O3S
- (Z)-2-((2-(Benzo[d]thiazol-2-yl)hydrazono)methyl)-4-nitrophenolC14H10N4O3S
- 4-{(E)-[2-(1,3-Benzothiazol-2-yl)hydrazinylidene]methyl}benzene-1,2-diol5491-96-3C14H11N3O2S
- Benzaldehyde, p-hydroxy-, 6-nitro-2-benzothiazolylhydrazone5398-48-1C14H10N4O3S
- 2-{(E)-[2-(1,3-Benzothiazol-2-yl)hydrazinylidene]methyl}-4-nitrophenol299970-56-2C14H10N4O3S
- 5-Chloro-2-hydroxy-3-nitrobenzaldehyde 1,3-benzothiazol-2-ylhydrazone343363-24-6C14H9ClN4O3S
- 2-{(E)-[2-(1,3-Benzothiazol-2-yl)hydrazinylidene]methyl}phenol6278-41-7C14H11N3OS
- 4-Hydroxy-3,5-dimethylbenzaldehyde 1,3-benzothiazol-2-ylhydrazone362499-43-2C16H15N3OS
- (E)-4-((2-(Benzo[d]thiazol-2-yl)hydrazono)methyl)phenol1371150-53-6C14H11N3OS
- 4-[(E)-(1,3-Benzothiazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol50286-88-9C14H11N3O2S
- (E)-4-((2-(Benzo[d]thiazol-2-yl)hydrazineylidene)methyl)-3-bromo-5-methoxyphenol418805-75-1C15H12BrN3O2S
- 4-Methoxy-2-{(E)-[(2Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}phenol341953-90-0C16H15N3O2S
- 4-{(E)-[2-(1,3-Benzothiazol-2-yl)hydrazinylidene]methyl}-2-methoxyphenol1316315-03-3C15H13N3O2S
- 4-Hydroxy-3-iodo-5-methoxybenzaldehyde 1,3-benzothiazol-2-ylhydrazone328021-74-5C15H12IN3O2S
Related scaffolds
Same ring framework with different atoms or bond orders
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O=c1[nH]c(=O)c2[nH]c(NN=Cc3ccccc3)nc2[nH]135 chemicals
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc123 chemicals
O=C(NCc1ccccc1)c1cc2ccccc2o120 chemicals
O=C(Nc1ccccc1)Nc1nc2ccccc2s119 chemicals
O=C(Cc1ccccc1)Nc1cc2c(s1)CNCC218 chemicals
C(=NNc1ccccc1)C1=Nc2ccccc2C115 chemicals
O=C(Cc1ccccc1)Nc1nc2ccccc2s115 chemicals![Scaffold O=c1[nH]c(=O)c2[nH]c(CNCc3ccccc3)nc2[nH]1](/scaffold/UVIPRNPUIHSMKT-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2[nH]c(CNCc3ccccc3)nc2[nH]115 chemicals![Scaffold O=C(NCc1nc2ccccc2[nH]1)c1ccccc1](/scaffold/DLPWNQUPBLICPH-UHFFFAOYSA-N/structure.svg)
O=C(NCc1nc2ccccc2[nH]1)c1ccccc112 chemicals![Scaffold O=C(NCc1ccccc1)c1cc2ccccc2[nH]1](/scaffold/AYMFXIQFBKQBGU-UHFFFAOYSA-N/structure.svg)
O=C(NCc1ccccc1)c1cc2ccccc2[nH]110 chemicals![Scaffold O=c1[nH]c(=O)c2[nH]c(NCCc3ccccc3)nc2[nH]1](/scaffold/SHGZCTVZCGSROM-UHFFFAOYSA-N/structure.svg)
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