3-(1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidin-2-yl)pyridine

• ChemBase ID: 506229
• Molecular Formular: C22H20N4OS
• Molecular Mass: 388.4854
• Monoisotopic Mass: 388.13578228
• SMILES: c1(n2c(nc(c2)c2ccccc2)sc1)C(=O)N1C(c2cnccc2)CCCC1
• Canonical SMILES: O=C(c1csc2n1cc(n2)c1ccccc1)N1CCCCC1c1cccnc1
• InChI: InChI=1S/C22H20N4OS/c27-21(25-12-5-4-10-19(25)17-9-6-11-23-13-17)20-15-28-22-24-18(14-26(20)22)16-7-2-1-3-8-16/h1-3,6-9,11,13-15,19H,4-5,10,12H2
• InChIKey: QHNGBIDGNRPLPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidin-2-yl)pyridine
• IUPAC Traditional name: 3-(1-{6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl}piperidin-2-yl)pyridine
• Synonyms: 6-phenyl-3-{[2-(3-pyridinyl)-1-piperidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3910792
• LogD (pH = 7.4): 3.460281
• Log P: 3.461254
• Molar Refractivity: 121.2938 cm^3
• Polarizability: 42.935593 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.64
• LOG S: -5.32
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3