N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-phenylpiperidine-1-carboxamide

• ChemBase ID: 836676
• Molecular Formular: C15H18N4OS
• Molecular Mass: 302.39462
• Monoisotopic Mass: 302.12013222
• SMILES: n1c(NC(=O)N2CC(c3ccccc3)CCC2)snc1C
• Canonical SMILES: O=C(N1CCCC(C1)c1ccccc1)Nc1snc(n1)C
• InChI: InChI=1S/C15H18N4OS/c1-11-16-14(21-18-11)17-15(20)19-9-5-8-13(10-19)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17,18,20)
• InChIKey: PZDOAEVEUPZVEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-phenylpiperidine-1-carboxamide
• Synonyms: N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.234378
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2444665
• LogD (pH = 7.4): 3.243867
• Log P: 3.2444804
• Molar Refractivity: 85.2191 cm^3
• Polarizability: 31.284647 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: 2.64
• LOG S: -3.66
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 2