Molecule ID: 135398698

IUPAC Name: 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one

Description: The molecule is a Photinus luciferin. It has a role as a member of oxidized luciferins. It is a conjugate acid of an oxidized Photinus luciferin(1-).

SMILES: O=C1CSC(c2nc3ccc(O)cc3s2)=N1

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

InChI: InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 2.4