N-(3,4-difluorophenyl)-1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-amine

• ChemBase ID: 397080
• Molecular Formular: C15H16F2N4OS
• Molecular Mass: 338.3755464
• Monoisotopic Mass: 338.10128859
• SMILES: c1(C(=O)N2CC(Nc3cc(c(cc3)F)F)CCC2)c(nns1)C
• Canonical SMILES: Fc1ccc(cc1F)NC1CCCN(C1)C(=O)c1snnc1C
• InChI: InChI=1S/C15H16F2N4OS/c1-9-14(23-20-19-9)15(22)21-6-2-3-11(8-21)18-10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,2-3,6,8H2,1H3
• InChIKey: UMPVCMQPAPULMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-difluorophenyl)-1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(3,4-difluorophenyl)-1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidin-3-amine
• Synonyms: N-(3,4-difluorophenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.136604
• LogD (pH = 7.4): 2.1490912
• Log P: 2.149253
• Molar Refractivity: 85.5302 cm^3
• Polarizability: 30.621445 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.08
• LOG S: -4.42
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3