1-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5,5-diphenylpiperidin-2-one

• ChemBase ID: 786735
• Molecular Formular: C23H23N3OS
• Molecular Mass: 389.51322
• Monoisotopic Mass: 389.15618337
• SMILES: c12nc(cn1CCS2)CN1CC(CCC1=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C1CCC(CN1Cc1nc2n(c1)CCS2)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H23N3OS/c27-21-11-12-23(18-7-3-1-4-8-18,19-9-5-2-6-10-19)17-26(21)16-20-15-25-13-14-28-22(25)24-20/h1-10,15H,11-14,16-17H2
• InChIKey: RTARWKVBLHGEPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5,5-diphenylpiperidin-2-one
• IUPAC Traditional name: 1-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5,5-diphenylpiperidin-2-one
• Synonyms: 1-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5,5-diphenylpiperidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.850067
• LogD (pH = 7.4): 3.8910747
• Log P: 3.891625
• Molar Refractivity: 123.718 cm^3
• Polarizability: 43.800537 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.04
• LOG S: -5.9
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4