Molecule ID: 137333888

IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]oxane-4-carboxamide

Description: The molecule is a secondary carboxamide resulting from the formal condensation of the carboxy group of tetrahydro-2H-pyran-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is a CDK18 kinase inhibitor. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of 1,3-oxazoles, a member of 1,3-thiazoles, an organic sulfide, a secondary carboxamide and a member of oxanes.

SMILES: CC(C)(C)c1cnc(CSc2cnc(N=C(O)C3CCOCC3)s2)o1

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][S][C][=C][N][=C][Branch1][=C][N][=C][Branch1][C][O][C][C][C][O][C][C][Ring1][=Branch1][S][Ring1][=C][O][Ring2][Ring1][Branch1]

InChI: InChI=1S/C17H23N3O3S2/c1-17(2,3)12-8-18-13(23-12)10-24-14-9-19-16(25-14)20-15(21)11-4-6-22-7-5-11/h8-9,11H,4-7,10H2,1-3H3,(H,19,20,21)

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: 3.3