Molecule ID: 17756750

IUPAC Name: (4S)-2-(1H-indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Description: The molecule is a dihydrocamalexic acid. It is a conjugate acid of a (S)-dihydrocamalexate. It is an enantiomer of a (R)-dihydrocamalexic acid.

SMILES: O=C(O)[C@H]1CSC(c2c[nH]c3ccccc23)=N1

SELFIES: [O][=C][Branch1][C][O][C@H1][C][S][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][=C]

InChI: InChI=1S/C12H10N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10,13H,6H2,(H,15,16)/t10-/m1/s1

Molecular Properties:
- Polar Surface Area: 90.8 Ų
- LogP: 1.9