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

• ChemBase ID: 711788
• Molecular Formular: C16H16N4OS
• Molecular Mass: 312.38944
• Monoisotopic Mass: 312.10448215
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1C(c2ncccc2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1ccccn1)c1cn2c(n1)scc2
• InChI: InChI=1S/C16H16N4OS/c21-15(13-11-19-9-10-22-16(19)18-13)20-8-4-2-6-14(20)12-5-1-3-7-17-12/h1,3,5,7,9-11,14H,2,4,6,8H2
• InChIKey: VNGGKIYJPJOHEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1133945
• LogD (pH = 7.4): 2.1275053
• Log P: 2.1276884
• Molar Refractivity: 95.833 cm^3
• Polarizability: 32.007984 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.99
• LOG S: -1.88
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2