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

• ChemBase ID: 615964
• Molecular Formular: C15H15F2N3OS
• Molecular Mass: 323.3609064
• Monoisotopic Mass: 323.09038956
• SMILES: C(=O)(N1C(c2nccs2)CCCC1)Nc1c(F)cccc1F
• Canonical SMILES: O=C(N1CCCCC1c1nccs1)Nc1c(F)cccc1F
• InChI: InChI=1S/C15H15F2N3OS/c16-10-4-3-5-11(17)13(10)19-15(21)20-8-2-1-6-12(20)14-18-7-9-22-14/h3-5,7,9,12H,1-2,6,8H2,(H,19,21)
• InChIKey: XQTWVYPRPNOXNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.279965
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1287498
• LogD (pH = 7.4): 3.1283758
• Log P: 3.1289215
• Molar Refractivity: 80.8592 cm^3
• Polarizability: 29.831545 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.33
• LOG S: -3.55
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 2