Murcko scaffold
Ring system with 3 rings and 22 atoms
42 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 22
- Chemicals
- 42
- With full pages
- 22
Scaffold SMILES
O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1
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.
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 42 of 42 chemicals
2-(2-Benzothiazolylthio)acetic acid 2-((3-methoxyphenyl)methylene)hydrazide
CAS 303105-72-8C17H15N3O2S2
![2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]acetohydrazide chemical structure, C18H17N3O3S2, CAS 330663-69-9](/s/PQZGNCOEQVQSRY-VXLYETTFSA-N.svg)
2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(2,3-dimethoxyphenyl)methylidene]acetohydrazide
CAS 330663-69-9C18H17N3O3S2
Acetic acid, (2-benzothiazolylthio)-, (phenylmethylene)hydrazide
CAS 73718-47-5C16H13N3OS2
![2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-phenylethylidene]acetohydrazide chemical structure, C17H15N3OS2, CAS 69560-32-3](/s/PAXJJBRBOLZJOL-UNOMPAQXSA-N.svg)
2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-phenylethylidene]acetohydrazide
CAS 69560-32-3C17H15N3OS2
![4-{[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-hydrazonomethyl}-benzoic acid chemical structure, C17H13N3O3S2, CAS 303105-71-7](/s/YZBPFPVZXJGRJF-NVMNQCDNSA-N.svg)
4-{[2-(Benzothiazol-2-ylsulfanyl)-acetyl]-hydrazonomethyl}-benzoic acid
CAS 303105-71-7C17H13N3O3S2
![(Z)-2-((2-(2-(Benzo[d]thiazol-2-ylthio)acetyl)hydrazono)methyl)benzoic acid chemical structure, C17H13N3O3S2](/s/JHJSSQFJTFBLCX-NVMNQCDNSA-N.svg)
(Z)-2-((2-(2-(Benzo[d]thiazol-2-ylthio)acetyl)hydrazono)methyl)benzoic acid
C17H13N3O3S2
![2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide chemical structure, C19H19N3O3S2, CAS 361164-72-9](/s/YUNXELXSKOYELY-MTJSOVHGSA-N.svg)
2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide
CAS 361164-72-9C19H19N3O3S2
![2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide chemical structure, C17H14ClN3OS2, CAS 170700-21-7](/s/IVACOEJWVBKLSB-JAIQZWGSSA-N.svg)
2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]acetohydrazide
CAS 170700-21-7C17H14ClN3OS2
![2-[(E)-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid chemical structure, C17H13N3O3S2, CAS 294197-48-1](/s/JHJSSQFJTFBLCX-GIJQJNRQSA-N.svg)
2-[(E)-[[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoic acid
CAS 294197-48-1C17H13N3O3S2
2-(1,3-Benzothiazol-2-ylthio)-N'-(4-propoxybenzylidene)acetohydrazide
CAS 303105-73-9C19H19N3O2S2
2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-(2,5-dimethoxybenzylidene)acetohydrazide
CAS 343357-76-6C18H17N3O3S2
2-(1,3-Benzothiazol-2-ylthio)-N'-(2,4,6-trimethoxybenzylidene)acetohydrazide
CAS 303107-41-7C19H19N3O4S2
2-(1,3-Benzothiazol-2-ylthio)-N'-(4-chloro-3-nitrobenzylidene)acetohydrazide
CAS 303107-40-6C16H11ClN4O3S2
2-(1,3-Benzothiazol-2-ylthio)-N'-(3-bromo-4-methoxybenzylidene)acetohydrazide
CAS 303107-43-9C17H14BrN3O2S2
Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide
CAS 94768-91-9C16H12N4O3S2
2-(1,3-Benzothiazol-2-ylthio)-N'-(5-bromo-2-fluorobenzylidene)acetohydrazide
CAS 303107-44-0C16H11BrFN3OS2
4-(2-((1,3-Benzothiazol-2-ylthio)AC)carbohydrazonoyl)-2-methoxyphenyl acetate
CAS 303107-39-3C19H17N3O4S2
![2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide chemical structure, C16H12FN3OS2, CAS 322413-49-0](/s/DCTQHRJJJROGHK-GIJQJNRQSA-N.svg)
2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
CAS 322413-49-0C16H12FN3OS2
Acetic acid, (2-benzothiazolylthio)-, ((4-(diethylamino)phenyl)methylene)hydrazide
CAS 94768-93-1C20H22N4OS2
Acetic acid, (2-benzothiazolylthio)-, ((4-methoxyphenyl)methylene)hydrazide
CAS 94768-90-8C17H15N3O2S2
![2-(1,3-Benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide chemical structure, C17H14BrN3O2S2, CAS 343365-38-8](/s/KPIRIZGOJJWBFY-DJKKODMXSA-N.svg)
2-(1,3-Benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CAS 343365-38-8C17H14BrN3O2S2
2-(1,3-Benzothiazol-2-ylthio)-N'-(4-isopropylbenzylidene)acetohydrazide
CAS 303107-50-8C19H19N3OS2
2-(1,3-Benzothiazol-2-ylthio)-N'-(3-methylbenzylidene)acetohydrazide
CAS 303105-77-3C17H15N3OS2
![2-(1,3-Benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide chemical structure, C18H17N3O2S2, CAS 361164-75-2](/s/FQUVZOKEOLOJMT-UDWIEESQSA-N.svg)
2-(1,3-Benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CAS 361164-75-2C18H17N3O2S2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]acetohydrazide170700-26-2C18H17N3O2S2
- 2-(1,3-Benzothiazol-2-ylthio)N'-(1-(3,4-dichlorophenyl)ethylidene)acetohydrazide302917-93-7C17H13Cl2N3OS2
- 2-(1,3-Benzothiazol-2-ylthio)-N'-(1-(2-chlorophenyl)ethylidene)acetohydrazide303105-79-5C17H14ClN3OS2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]acetamide361164-79-6C17H14BrN3OS2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-propoxyphenyl)methylidene]propanehydrazide588682-27-3C20H20BrN3O2S2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(5-bromo-2-butoxyphenyl)methylidene]propanehydrazide588682-28-4C21H22BrN3O2S2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]acetohydrazide170700-25-1C17H15N3O2S2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide851932-61-1C17H15N3O3S2
- 2-(1,3-Benzothiazol-2-ylthio)-N'-(3-BR-4-HO-5-methoxybenzylidene)acetohydrazide302950-64-7C17H14BrN3O3S2
- Acetic acid, (2-benzothiazolylthio)-, ((2-hydroxyphenyl)methylene)hydrazide24044-93-7C16H13N3O2S2
- 2-(1,3-Benzothiazol-2-ylthio)-N'-(1-(4-hydroxyphenyl)propylidene)acetohydrazide361164-76-3C18H17N3O2S2
- 2-(1,3-Benzothiazol-2-ylthio)-N'-(4-HO-3,5-dimethoxybenzylidene)acetohydrazide303107-48-4C18H17N3O4S2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-(3-ethoxy-4-hydroxybenzylidene)acetohydrazide352558-85-1C18H17N3O3S2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide303202-75-7C18H17N3O3S2
- 4'-Hydroxyacetophenone [(benzothiazol-2-ylthio)acetyl]hydrazone73718-46-4C17H15N3O2S2
- 2-(1,3-Benzothiazol-2-ylthio)-N'-(3,4-dihydroxybenzylidene)acetohydrazide303105-74-0C16H13N3O3S2
- Acetic acid, (2-benzothiazolylthio)-, ((5-bromo-2-hydroxyphenyl)methylene)hydrazide, hydrate94768-92-0C16H14BrN3O3S2
- 2-(1,3-Benzothiazol-2-ylthio)-N'-(2-hydroxy-3,5-diiodobenzylidene)acetohydrazide303105-76-2C16H11I2N3O2S2
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1](/scaffold/FEZFATXEYHLKNH-UHFFFAOYSA-N/structure.svg)
O=C(COc1ccccc1)NCCc1nc2ccccc2[nH]112 chemicals![Scaffold O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1](/scaffold/KDKVPKLISZJNRH-UHFFFAOYSA-N/structure.svg)
O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc110 chemicals
O=C(CCCOc1ccccc1)Nc1cc2c(s1)CCCC26 chemicals![Scaffold O=C(CSCC(=O)N1CCOCC1)N=c1[nH]c2ccccc2s1](/scaffold/TZMMSWMUNYMCSV-UHFFFAOYSA-N/structure.svg)
O=C(CSCC(=O)N1CCOCC1)N=c1[nH]c2ccccc2s15 chemicals
O=C(NCNC(=S)Nc1cc2c(s1)CCCC2)c1ccccc14 chemicals![Scaffold O=C(C=Cc1ccccc1)NCCc1nc2ccccc2[nH]1](/scaffold/DPWOQDMHZNVSPQ-UHFFFAOYSA-N/structure.svg)
O=C(C=Cc1ccccc1)NCCc1nc2ccccc2[nH]13 chemicals
O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccccc13 chemicals
O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NC1CCCCC13 chemicals
O=C(CSc1nc2ccccc2o1)NN=Cc1ccccc13 chemicals
O=C(COC(=O)c1nc2ncccn2n1)NCc1ccccc12 chemicals![Scaffold O=C(CSCC(=O)N1CCCCC1)N=c1[nH]c2ccccc2s1](/scaffold/BNYOKTRMEHFRFC-UHFFFAOYSA-N/structure.svg)
O=C(CSCC(=O)N1CCCCC1)N=c1[nH]c2ccccc2s12 chemicals
O=C(CSc1nc2ccccc2s1)NCC(=O)c1ccccc12 chemicals