N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

• ChemBase ID: 414647
• Molecular Formular: C16H17N7O2S
• Molecular Mass: 371.41688
• Monoisotopic Mass: 371.11644382
• SMILES: n1c(noc1C1CN(C(=O)Nc2nc(ns2)C)CCC1)c1cnccc1
• Canonical SMILES: O=C(N1CCCC(C1)c1onc(n1)c1cccnc1)Nc1snc(n1)C
• InChI: InChI=1S/C16H17N7O2S/c1-10-18-15(26-22-10)20-16(24)23-7-3-5-12(9-23)14-19-13(21-25-14)11-4-2-6-17-8-11/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,18,20,22,24)
• InChIKey: HYWOMWYYFMNSPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
• Synonyms: N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.234151
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.4242663
• LogD (pH = 7.4): 2.4293764
• Log P: 2.4300635
• Molar Refractivity: 108.4637 cm^3
• Polarizability: 35.872124 Å^3
• Polar Surface Area: 109.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.69
• LOG S: -2.49
• Polar Surface Area: 109.93 Å^2
• Rotatable Bonds: 3