N-[1-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-4-yl)-2-phenylethyl]-N-methylpyridine-2-carboxamide

• ChemBase ID: 401771
• Molecular Formular: C26H27N5O2S
• Molecular Mass: 473.58988
• Monoisotopic Mass: 473.18854613
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CCC(C(N(C(=O)c2ncccc2)C)Cc2ccccc2)CC1
• Canonical SMILES: CN(C(=O)c1ccccn1)C(C1CCN(CC1)C(=O)c1cn2c(n1)scc2)Cc1ccccc1
• InChI: InChI=1S/C26H27N5O2S/c1-29(24(32)21-9-5-6-12-27-21)23(17-19-7-3-2-4-8-19)20-10-13-30(14-11-20)25(33)22-18-31-15-16-34-26(31)28-22/h2-9,12,15-16,18,20,23H,10-11,13-14,17H2,1H3
• InChIKey: PEIQQFUHRLTJBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-4-yl)-2-phenylethyl]-N-methylpyridine-2-carboxamide
• IUPAC Traditional name: N-[1-(1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-4-yl)-2-phenylethyl]-N-methylpyridine-2-carboxamide
• Synonyms: N-{1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-4-piperidinyl]-2-phenylethyl}-N-methyl-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.286601
• LogD (pH = 7.4): 3.2866478
• Log P: 3.2866485
• Molar Refractivity: 143.7319 cm^3
• Polarizability: 49.957336 Å^3
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.64
• LOG S: -5.6
• Polar Surface Area: 70.81 Å^2
• Rotatable Bonds: 6