Molecule ID: 135505743

IUPAC Name: (4S)-2-(2-hydroxyphenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid

Description: The molecule is a 1,3-thiazole that is 4,5-dihydro-1,3-thiazole-4-carboxylic acid substituted by a 2-hydroxyphenyl group at position 2 and a methyl group at position 4 (the 4S stereoisomer). It is isolated from the culture broth of Streptomyces sp.KCTC9303 and exhibits potent cytotoxic activites against number of tumour cell lines. It has a role as a metabolite and an antineoplastic agent. It is a monocarboxylic acid, a member of phenols and a member of 1,3-thiazoles.

SMILES: C[C@]1(C(=O)O)CSC(c2ccccc2O)=N1

SELFIES: [C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][Ring1][#C]

InChI: InChI=1S/C11H11NO3S/c1-11(10(14)15)6-16-9(12-11)7-4-2-3-5-8(7)13/h2-5,13H,6H2,1H3,(H,14,15)/t11-/m1/s1

Molecular Properties:
- Polar Surface Area: 95.2 Ų
- LogP: 1.6