N-(6-methoxypyridin-3-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

• ChemBase ID: 371760
• Molecular Formular: C15H18N4O2S
• Molecular Mass: 318.39402
• Monoisotopic Mass: 318.11504684
• SMILES: C(=O)(N1C(c2nccs2)CCCC1)Nc1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)NC(=O)N1CCCCC1c1nccs1
• InChI: InChI=1S/C15H18N4O2S/c1-21-13-6-5-11(10-17-13)18-15(20)19-8-3-2-4-12(19)14-16-7-9-22-14/h5-7,9-10,12H,2-4,8H2,1H3,(H,18,20)
• InChIKey: VTYWDTCHBCVUSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxypyridin-3-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(6-methoxypyridin-3-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• Synonyms: N-(6-methoxypyridin-3-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.385389
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0623314
• LogD (pH = 7.4): 2.0626233
• Log P: 2.0626314
• Molar Refractivity: 85.0462 cm^3
• Polarizability: 32.024914 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.93
• LOG S: -3.17
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3