Murcko scaffold
2-(Phenylthio)benzothiazole scaffold
47 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 16
- Chemicals
- 47
- With full pages
- 7
Scaffold SMILES
c1ccc(Sc2nc3ccccc3s2)cc1
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 47 of 47 chemicals
![Benzothiazole, 2-[(2,4-dinitrophenyl)thio]- chemical structure, C13H7N3O4S2, CAS 17586-89-9](/s/RCPUUVXIUIWMEE-UHFFFAOYSA-N.svg)
Benzothiazole, 2-[(2,4-dinitrophenyl)thio]-
CAS 17586-89-9C13H7N3O4S2
![2-[(4-Nitrophenyl)thio]benzothiazole chemical structure, C13H8N2O2S2, CAS 19387-54-3](/s/CFKYGISPRYOSCQ-UHFFFAOYSA-N.svg)
2-[(4-Nitrophenyl)thio]benzothiazole
CAS 19387-54-3C13H8N2O2S2
4-(2-Benzothiazol-2-ylthio)aniline
CAS 25712-17-8C13H10N2S2
![2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}-1,3-benzothiazole chemical structure, C14H7F3N2O2S2, CAS 131182-91-7](/s/SEGPVSGEMQVJSQ-UHFFFAOYSA-N.svg)
2-{[2-Nitro-4-(trifluoromethyl)phenyl]thio}-1,3-benzothiazole
CAS 131182-91-7C14H7F3N2O2S2
![4-(Benzo[d]thiazol-2-ylthio)-3-chloroaniline chemical structure, C13H9ClN2S2, CAS 300809-71-6](/s/DTSNLMOLTVGCGZ-UHFFFAOYSA-N.svg)
4-(Benzo[d]thiazol-2-ylthio)-3-chloroaniline
CAS 300809-71-6C13H9ClN2S2
4-(Benzothiazol-2-ylsulfanyl)-3-nitro-benzoic acid
CAS 346597-52-2C14H8N2O4S2
![1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone chemical structure, C15H10N2O3S2, CAS 371935-76-1](/s/IBCSIGZUVJKKGL-UHFFFAOYSA-N.svg)
1-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrophenyl]ethanone
CAS 371935-76-1C15H10N2O3S2
![Benzothiazole, 2-[(4-chlorophenyl)thio]- chemical structure, C13H8ClNS2, CAS 39544-83-7](/s/JTYRUSBFNPGSMO-UHFFFAOYSA-N.svg)
Benzothiazole, 2-[(4-chlorophenyl)thio]-
CAS 39544-83-7C13H8ClNS2
![1-{4-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}ethanone chemical structure, C17H14N2O4S2, CAS 311793-84-7](/s/RCANCUOOEYZSCJ-UHFFFAOYSA-N.svg)
1-{4-[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}ethanone
CAS 311793-84-7C17H14N2O4S2
![Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- chemical structure, C14H7F3N2O2S2, CAS 91512-40-2](/s/UXNNXJYGPWEVPP-UHFFFAOYSA-N.svg)
Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-
CAS 91512-40-2C14H7F3N2O2S2
4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide
CAS 202207-34-9C14H9N3O3S2
![2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole chemical structure, C14H9N3O6S3, CAS 325703-52-4](/s/LANOCIVHYZLHRY-UHFFFAOYSA-N.svg)
2-((4-(Methylsulfonyl)-2,6-dinitrophenyl)thio)benzo[d]thiazole
CAS 325703-52-4C14H9N3O6S3
![2-[(4-Methanesulfonyl-2-nitrophenyl)sulfanyl]-1,3-benzothiazole chemical structure, C14H10N2O4S3, CAS 325703-58-0](/s/WEKHSHMCROYTRB-UHFFFAOYSA-N.svg)
2-[(4-Methanesulfonyl-2-nitrophenyl)sulfanyl]-1,3-benzothiazole
CAS 325703-58-0C14H10N2O4S3
2-(2,6-Dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole
CAS 313496-36-5C13H6Cl2N2O2S2
![N-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-chlorophenyl]decanamide chemical structure, C23H27ClN2OS2, CAS 299920-23-3](/s/JJUBKLQVYAHOPM-UHFFFAOYSA-N.svg)
N-[4-(1,3-Benzothiazol-2-ylsulfanyl)-3-chlorophenyl]decanamide
CAS 299920-23-3C23H27ClN2OS2
![6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole chemical structure, C16H11F3N2O3S2, CAS 331982-33-3](/s/UKUYBBYTNCNTAF-UHFFFAOYSA-N.svg)
6-Ethoxy-2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,3-benzothiazole
CAS 331982-33-3C16H11F3N2O3S2
![2-[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole chemical structure, C14H4F7NS2, CAS 351371-75-0](/s/AHPLJJBWOSKFFI-UHFFFAOYSA-N.svg)
2-[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole
CAS 351371-75-0C14H4F7NS2
4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzaldehyde
CAS 565166-61-2C14H8N2O3S2
2-(1,3-Benzothiazol-2-ylsulfanyl)-5-nitrobenzaldehyde
CAS 730951-41-4C14H8N2O3S2
4-Chloro-2-(phenylthio)benzothiazole
CAS 40427-66-5C13H8ClNS2
![3-Nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzaldehyde chemical structure, C14H7N3O5S2, CAS 733030-93-8](/s/RIJLHZQEHJVEFT-UHFFFAOYSA-N.svg)
3-Nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzaldehyde
CAS 733030-93-8C14H7N3O5S2
((2-Benzothiazol-2-ylthio-5-nitrophenyl)methylene)methane-1,1-dicarbonitrile
CAS 1023558-35-1C17H8N4O2S2
![2-[(6-Chloro-1,3-benzothiazol-2-yl)thio]aniline chemical structure, C13H9ClN2S2, CAS 175277-83-5](/s/ODKNSTKRYLNNAD-UHFFFAOYSA-N.svg)
2-[(6-Chloro-1,3-benzothiazol-2-yl)thio]aniline
CAS 175277-83-5C13H9ClN2S2
2-(Phenylthio)benzothiazole
CAS 4276-60-2C13H9NS2
- 3-(2-Benzothiazol-2-ylthio-5-nitrophenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile1025575-51-2C21H17N3O3S2
- N'-{4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzylidene}pentanohydrazide337468-72-1C19H18N4O3S2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)aniline69104-74-1C13H10N2S2
- N'-{4-[(1,3-Benzothiazol-2-yl)sulfanyl]phenyl}-N,N-dimethylurea89570-45-6C16H15N3OS2
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-5-chloroaniline381713-58-2C13H9ClN2S2
- 2-(2,6-Dichloro-4-nitro-phenylsulfanyl)-benzothiazole-6-carbonitrile315228-90-1C14H5Cl2N3O2S2
- 2-(2,6-Dichloro-4-nitro-phenylsulfanyl)-benzothiazole-5-carbonitrile315228-92-3C14H5Cl2N3O2S2
- 2-(2-Chloro-4-nitro-phenylsulfanyl)-benzothiazol-5-carboxylic acid315228-83-2C14H7ClN2O4S2
- 4-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]-3-methoxyaniline315229-00-6C14H11ClN2OS2
- 2-(4-Amino-2,6-dichloro-phenylsulfanyl)-benzothiazole-6-carbonitrile315228-41-2C14H7Cl2N3S2
- 5-Chloro-2-(2-methoxy-4-nitro-phenylsulfanyl)-benzothiazole315228-87-6C14H9ClN2O3S2
- 2-(2-Chlorophenylsulfanyl)benzothiazole60372-34-1C13H8ClNS2
- 4-(Benzo[d]thiazol-2-ylthio)benzonitrile1019608-44-6C14H8N2S2
- 2-(4-Amino-2,6-dichloro-phenylsulfanyl)-benzothiazole-5-carboxylic acid methyl ester315228-99-0C15H10Cl2N2O2S2
- 2-(4-Amino-2-chloro-phenylsulfanyl)-benzothiazole-5-carboxylic acid methyl ester315228-98-9C15H11ClN2O2S2
- Methyl 2-(2,6-dichloro-4-nitrophenyl)sulfanyl-1,3-benzothiazole-5-carboxylate315228-86-5C15H8Cl2N2O4S2
- 2-(2-Chloro-4-nitro-phenylsulfanyl)-benzothiazole-5-carboxylic acid methyl ester315228-84-3C15H9ClN2O4S2
- 3-Ethyl-2-(phenylsulfanyl)-1,3-benzothiazol-3-ium iodide40567-26-8C15H14INS2
- N-{2-[(2,5-Dihydroxy-3-octylphenyl)sulfanyl]-1,3-benzothiazol-5-YL}nonanamide106135-87-9C30H42N2O3S2
- 2-(Dodecylsulfanyl)-5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]benzene-1,4-diol141187-73-7C25H32N2O4S3
- 6-Methoxy-2-(phenylthio)benzothiazole3507-20-8C14H11NOS2
- 6-Bromo-2-(phenylthio)benzo[d]thiazole1189350-92-2C13H8BrNS2
- 2-(Benzo[d]thiazol-2-ylthio)-5-nitrobenzoic acid332933-44-5C14H8N2O4S2
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold c1ccc(Cc2nc3ccccc3[nH]2)cc1](/scaffold/YTLQFZVCLXFFRK-UHFFFAOYSA-N/structure.svg)
c1ccc(Cc2nc3ccccc3[nH]2)cc165 chemicals
O=C1C(=Cc2ccccc2)Oc2ccccc2153 chemicals
O=C(c1ccccc1)c1cc2ccccc2o150 chemicals
O=C1c2ccccc2C(=O)N1Cc1ccccc137 chemicals
O=c1cnn2c(=O)c(=Cc3ccccc3)sc2n126 chemicals
O=C1c2ccccc2CN1Cc1ccccc124 chemicals
c1ccc(Nc2nc3ccccc3s2)cc123 chemicals![Scaffold O=c1[nH]c(=O)c2[nH]c(CN3CCCCC3)nc2[nH]1](/scaffold/ZFBIZJMWQYQTOH-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2[nH]c(CN3CCCCC3)nc2[nH]123 chemicals![Scaffold O=c1[nH]c(=O)c2[nH]c(CN3CCOCC3)nc2[nH]1](/scaffold/QZWXCOLLEUINDB-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2[nH]c(CN3CCOCC3)nc2[nH]120 chemicals![Scaffold c1ccc(Nc2nc3ccccc3[nH]2)cc1](/scaffold/OUAAURDVPDKVAK-UHFFFAOYSA-N/structure.svg)
c1ccc(Nc2nc3ccccc3[nH]2)cc118 chemicals
O=C(c1ccccc1)c1cc2cccnc2s114 chemicals
O=C1C(=Cc2ccccc2)C(=O)c2ccccc2114 chemicals