Molecule ID: 76332273

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

Description: The molecule is a member of the class of 1,3-thiazoles that is 2-[2-(pentan-3-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 hydrazone, a member of 1,3-thiazoles and a member of monochlorobenzenes.

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

SELFIES: [C][C][C][Branch1][Ring1][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/C14H16ClN3S/c1-3-12(4-2)17-18-14-16-13(9-19-14)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,18)

Molecular Properties:
- Polar Surface Area: 65.5 Ų
- LogP: 4.7