2-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

• ChemBase ID: 832788
• Molecular Formular: C14H15FN4OS
• Molecular Mass: 306.3585032
• Monoisotopic Mass: 306.09506034
• SMILES: C(=O)(N1C(c2ccc(cc2)F)CCCC1)Nc1scnn1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)Nc1scnn1
• InChI: InChI=1S/C14H15FN4OS/c15-11-6-4-10(5-7-11)12-3-1-2-8-19(12)14(20)17-13-18-16-9-21-13/h4-7,9,12H,1-3,8H2,(H,17,18,20)
• InChIKey: XZJCGRQOUSQJFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
• Synonyms: 2-(4-fluorophenyl)-N-1,3,4-thiadiazol-2-ylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.19189
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5613585
• LogD (pH = 7.4): 2.5607014
• Log P: 2.561367
• Molar Refractivity: 80.8368 cm^3
• Polarizability: 29.260841 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.14
• LOG S: -3.26
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 2