Molecule ID: 3913

IUPAC Name: 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

Description: The molecule is an imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group. It has a role as a xenobiotic and an environmental contaminant.

SMILES: c1ccc(C2CN3CCSC3=N2)cc1

SELFIES: [C][=C][C][=C][Branch1][=N][C][C][N][C][C][S][C][Ring1][Branch1][=N][Ring1][Branch2][C][=C][Ring1][=C]

InChI: InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2

Molecular Properties:
- Polar Surface Area: 40.9 Ų
- LogP: 1.8