CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 17 atoms

16 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
16
With full pages
3
Scaffold SMILES

c1ccc(C2=NNC(c3ccccc3)S2)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.

Substructure search with this scaffold
Murcko scaffold c1ccc(C2=NNC(c3ccccc3)S2)cc1

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 16 of 16 chemicals

4-(5-Phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol chemical structure, C14H12N2OS, CAS 419546-44-4
4-(5-Phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol
CAS 419546-44-4C14H12N2OS
2-(4-Methoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole chemical structure, C15H14N2OS, CAS 82243-08-1
2-(4-Methoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CAS 82243-08-1C15H14N2OS
2-(2-Methoxy-5-nitrophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole chemical structure, C15H13N3O3S, CAS 301320-97-8
2-(2-Methoxy-5-nitrophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CAS 301320-97-8C15H13N3O3S
2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole chemical structure, C14H11ClN2S, CAS 82243-07-0
2-(4-Chlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CAS 82243-07-0C14H11ClN2S
2-(3,4-Dimethoxyphenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole chemical structure, C17H18N2O2S, CAS 5814-87-9
2-(3,4-Dimethoxyphenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CAS 5814-87-9C17H18N2O2S
2-(4-Chlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole chemical structure, C15H13ClN2S, CAS 331454-19-4
2-(4-Chlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CAS 331454-19-4C15H13ClN2S
2,5-Diphenyl-3-(propan-2-yl)-2,3-dihydro-1,3,4-thiadiazole chemical structure, C17H18N2S, CAS 90057-71-9
2,5-Diphenyl-3-(propan-2-yl)-2,3-dihydro-1,3,4-thiadiazole
CAS 90057-71-9C17H18N2S
Filanesib chemical structure, C20H22F2N4O2S, CAS 885060-09-3
Filanesib
CAS 885060-09-3C20H22F2N4O2S
(R)-Filanesib chemical structure, C20H22F2N4O2S, CAS 885060-08-2
(R)-Filanesib
CAS 885060-08-2C20H22F2N4O2S
tert-Butyl (3-(5-(2,5-difluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propyl)carbamate chemical structure, C22H25F2N3O2S, CAS 913731-98-3
tert-Butyl (3-(5-(2,5-difluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propyl)carbamate
CAS 913731-98-3C22H25F2N3O2S
1-(2-(3-Aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)-2,2-dimethylpropan-1-one hydrochloride chemical structure, C22H26ClF2N3OS, CAS 1018690-45-3
1-(2-(3-Aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3(2H)-yl)-2,2-dimethylpropan-1-one hydrochloride
CAS 1018690-45-3C22H26ClF2N3OS
Filanesib hydrochloride chemical structure, C20H23ClF2N4O2S, CAS 1385020-40-5
Filanesib hydrochloride
CAS 1385020-40-5C20H23ClF2N4O2S
tert-Butyl (3-(5-(2,5-difluorophenyl)-3-(methoxy(methyl)carbamoyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propyl)carbamate chemical structure, C25H30F2N4O4S, CAS 1079843-60-9
tert-Butyl (3-(5-(2,5-difluorophenyl)-3-(methoxy(methyl)carbamoyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propyl)carbamate
CAS 1079843-60-9C25H30F2N4O4S
Filanesib TFA chemical structure, C22H23F5N4O4S, CAS 1781834-99-8
Filanesib TFA
CAS 1781834-99-8C22H23F5N4O4S
(S)-tert-Butyl (3-(5-(2,5-difluorophenyl)-3-(methoxy(methyl)carbamoyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propyl)carbamate chemical structure, C25H30F2N4O4S, CAS 1079843-66-5
(S)-tert-Butyl (3-(5-(2,5-difluorophenyl)-3-(methoxy(methyl)carbamoyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propyl)carbamate
CAS 1079843-66-5C25H30F2N4O4S
(R)-tert-Butyl (3-(5-(2,5-difluorophenyl)-3-(methoxy(methyl)carbamoyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propyl)carbamate chemical structure, C25H30F2N4O4S, CAS 1079843-65-4
(R)-tert-Butyl (3-(5-(2,5-difluorophenyl)-3-(methoxy(methyl)carbamoyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)propyl)carbamate
CAS 1079843-65-4C25H30F2N4O4S