N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(4-phenylpiperidin-1-yl)acetamide

• ChemBase ID: 385490
• Molecular Formular: C19H24N4OS
• Molecular Mass: 356.48506
• Monoisotopic Mass: 356.16708241
• SMILES: c12nc(cn1CCS2)CNC(=O)CN1CCC(CC1)c1ccccc1
• Canonical SMILES: O=C(CN1CCC(CC1)c1ccccc1)NCc1nc2n(c1)CCS2
• InChI: InChI=1S/C19H24N4OS/c24-18(20-12-17-13-23-10-11-25-19(23)21-17)14-22-8-6-16(7-9-22)15-4-2-1-3-5-15/h1-5,13,16H,6-12,14H2,(H,20,24)
• InChIKey: JQKHEWKWCQVJCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(4-phenylpiperidin-1-yl)acetamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(4-phenylpiperidin-1-yl)acetamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-phenyl-1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7230215
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13899998
• LogD (pH = 7.4): 1.7975858
• Log P: 2.1484833
• Molar Refractivity: 101.9855 cm^3
• Polarizability: 39.334282 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.39
• LOG S: -2.99
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5