Murcko scaffold
Ring system with 3 rings and 20 atoms
81 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 20
- Chemicals
- 81
- With full pages
- 11
Scaffold SMILES
O=C(CCc1ccccc1)Nc1nc2ccccc2s1
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 48 of 81 chemicals
N-(6-Methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CAS 329923-66-2C17H16N2OS
N-(6-Nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CAS 349431-88-5C16H13N3O3S
N-(6-Chloro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CAS 476307-44-5C16H13ClN2OS
N-(6-Methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CAS 349537-40-2C17H16N2O2S
![N-[6-(Methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide chemical structure, C17H16N2O3S2, CAS 349537-45-7](/s/XEULMEDBMGLJNB-UHFFFAOYSA-N.svg)
N-[6-(Methylsulfonyl)benzothiazol-2-yl]-3-phenylpropanamide
CAS 349537-45-7C17H16N2O3S2
![3-Phenyl-N-[(2E)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]propanamide chemical structure, C16H15N3O3S2, CAS 406722-95-0](/s/LAACHSQUSODSFN-UHFFFAOYSA-N.svg)
3-Phenyl-N-[(2E)-6-sulfamoyl-1,3-benzothiazol-2(3H)-ylidene]propanamide
CAS 406722-95-0C16H15N3O3S2
N-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CAS 540529-90-6C17H16N2O2S
N-(4,7-Dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CAS 1321686-83-2C19H20N2O3S
N-(4-Fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CAS 868375-73-9C17H15FN2OS
N-(6-Methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CAS 445017-67-4C18H18N2O3S
3-(3,4-Dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CAS 848585-46-6C19H20N2O4S
3-(4-Methoxyphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CAS 853354-71-9C18H18N2O2S
N-(1,3-Benzothiazol-2-yl)-3-phenylbutanamide
CAS 432512-38-4C17H16N2OS
N-(6-Nitro-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CAS 432537-66-1C17H15N3O3S
N-(6-Methyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CAS 667409-09-8C18H18N2OS
N-(6-Acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CAS 476307-57-0C18H17N3O2S
![(Z)-3-Phenyl-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)propanamide chemical structure, C19H17N3O3S2, CAS 865182-55-4](/s/IDNIZFCMUSPWOM-UHFFFAOYSA-N.svg)
(Z)-3-Phenyl-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)propanamide
CAS 865182-55-4C19H17N3O3S2
![(Z)-Methyl 2-(6-fluoro-2-((3-phenylpropanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate chemical structure, C19H17FN2O3S, CAS 941871-95-0](/s/PEJOIJKIBDLZQY-UHFFFAOYSA-N.svg)
(Z)-Methyl 2-(6-fluoro-2-((3-phenylpropanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
CAS 941871-95-0C19H17FN2O3S
![Methyl 2-(3-phenylpropanamido)benzo[d]thiazole-6-carboxylate chemical structure, C18H16N2O3S, CAS 888409-12-9](/s/OPQNYRFUQQVTHF-UHFFFAOYSA-N.svg)
Methyl 2-(3-phenylpropanamido)benzo[d]thiazole-6-carboxylate
CAS 888409-12-9C18H16N2O3S
N-(3-Methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CAS 683238-12-2C18H18N2O3S2
![N-[6-Acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide chemical structure, C21H23N3O3S, CAS 865161-16-6](/s/ZMWNRXVFRGVMHR-UHFFFAOYSA-N.svg)
N-[6-Acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide
CAS 865161-16-6C21H23N3O3S
![(Z)-N-(6-Bromo-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide chemical structure, C19H19BrN2O2S, CAS 864976-22-7](/s/QCDMZPIDXBXVGL-UHFFFAOYSA-N.svg)
(Z)-N-(6-Bromo-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide
CAS 864976-22-7C19H19BrN2O2S
![(Z)-N-(3-(2-Methoxyethyl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide chemical structure, C19H21N3O4S2, CAS 865160-63-0](/s/CRCXBYVRLKFZLZ-UHFFFAOYSA-N.svg)
(Z)-N-(3-(2-Methoxyethyl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide
CAS 865160-63-0C19H21N3O4S2
![(Z)-N-(3-(2-Methoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide chemical structure, C20H22N2O4S2, CAS 864977-40-2](/s/MSOUAEYSGKUMPH-UHFFFAOYSA-N.svg)
(Z)-N-(3-(2-Methoxyethyl)-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide
CAS 864977-40-2C20H22N2O4S2
- (Z)-Ethyl 2-(6-bromo-2-((3-phenylpropanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate865247-13-8C20H19BrN2O3S
- (Z)-N-(6-Chloro-3-(2-ethoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide865162-59-0C20H21ClN2O2S
- N-(4,5-Dimethylbenzo[d]thiazol-2-yl)-3-phenylpropanamide888409-78-7C18H18N2OS
- Ethyl 2-[6-methylsulfonyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate865247-43-4C21H22N2O5S2
- N-(1,3-Benzothiazol-2-yl)-3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide685107-85-1C18H13ClF3N3O2S
- (Z)-Methyl 2-(6-bromo-2-((3-phenylpropanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate865197-94-0C19H17BrN2O3S
- (Z)-N-(3-Allyl-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide865180-31-0C19H19N3O3S2
- (Z)-N-(6-Acetamido-3-allylbenzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide865180-61-6C21H21N3O2S
- Ethyl 2-[6-chloro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate865247-05-8C20H19ClN2O3S
- Ethyl 2-(3-phenylpropanamido)benzo[d]thiazole-6-carboxylate946360-12-9C19H18N2O3S
- (Z)-N-(6-Bromo-3-(2-ethoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide865162-89-6C20H21BrN2O2S
- N-(6-Fluoro-1,3-benzothiazol-2-yl)-3-phenylpropanamide477545-46-3C16H13FN2OS
- N-(3-Methyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide477545-44-1C17H16N2OS
- N-[3-(2-Ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide865173-62-2C20H21N3O4S
- (Z)-Methyl 2-(6-methyl-2-((3-phenylpropanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate941871-87-0C20H20N2O3S
- Methyl 2-[6-acetamido-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate941872-04-4C21H21N3O4S
- N-(6-Methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide432508-75-3C18H18N2O2S
- (E)-N-(6-Bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-3-phenylpropanamide476307-47-8C17H15BrN2OS
- (Z)-Methyl 2-(6-chloro-2-((3-phenylpropanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate941977-16-8C19H17ClN2O3S
- Methyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate865199-29-7C19H19N3O5S2
- N-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide476321-09-2C18H18N2O2S
- N-(6-Chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide476317-83-6C17H15ClN2OS
- (Z)-Methyl 2-(6-methoxy-2-((3-phenylpropanoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate941997-37-1C20H20N2O4S
- Ethyl 2-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate865248-27-7C20H21N3O5S2
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1](/scaffold/WVWIDWYWASPVGN-UHFFFAOYSA-N/structure.svg)
O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc149 chemicals![Scaffold c1ccc(OCCSc2nc3ccccc3[nH]2)cc1](/scaffold/UEYUFQWEHMSHIX-UHFFFAOYSA-N/structure.svg)
c1ccc(OCCSc2nc3ccccc3[nH]2)cc136 chemicals![Scaffold O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1](/scaffold/YRGGTYXDASSWSH-UHFFFAOYSA-N/structure.svg)
O=C(NCCc1nc2ccccc2[nH]1)c1ccccc124 chemicals
O=C(COc1ccccc1)Nc1nc2ccccc2s122 chemicals
O=C(COc1ccccc1)Nc1cc2c(s1)CCCC220 chemicals
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc119 chemicals
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc118 chemicals
O=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccccc2s117 chemicals
O=C(CSc1nc2ccccc2s1)Nc1ccccc114 chemicals![Scaffold O=C(NN=Cc1ccccc1)c1cc2ccccc2[nH]1](/scaffold/SYUQFFCOGGAGKC-UHFFFAOYSA-N/structure.svg)
O=C(NN=Cc1ccccc1)c1cc2ccccc2[nH]113 chemicals
O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc111 chemicals
O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc111 chemicals