Molecule ID: 27210083

IUPAC Name: N-[(E)-butan-2-ylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine

Description: The molecule is a member of the class of 1,3-thiazoles that is 2-[2-(butan-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(C)=N/Nc1nc(-c2ccc(Cl)cc2)cs1

SELFIES: [C][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/C13H14ClN3S/c1-3-9(2)16-17-13-15-12(8-18-13)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3,(H,15,17)/b16-9+

Molecular Properties:
- Polar Surface Area: 65.5 Ų
- LogP: 4.2