Molecule ID: 17163601

IUPAC Name: 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine

Description: The molecule is a member of the class of 1,3-thiazoles that is 2-[2-(propan-2-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4. It has a role as an EC 2.3.1.48 (histone acetyltransferase) inhibitor. It is a member of 1,3-thiazoles, a hydrazone and a member of monochlorobenzenes.

SMILES: CC(C)=NNc1nc(-c2ccc(Cl)cc2)cs1

SELFIES: [C][C][Branch1][C][C][=N][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N]

InChI: InChI=1S/C12H12ClN3S/c1-8(2)15-16-12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,16)

Molecular Properties:
- Polar Surface Area: 65.5 Ų
- LogP: 3.8