4-{[5-(4-ethyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-propylpiperidine

• ChemBase ID: 836086
• Molecular Formular: C15H23N5OS
• Molecular Mass: 321.44102
• Monoisotopic Mass: 321.16233138
• SMILES: c1(c2c(nns2)CC)nc(no1)CC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)Cc1noc(n1)c1snnc1CC
• InChI: InChI=1S/C15H23N5OS/c1-3-7-20-8-5-11(6-9-20)10-13-16-15(21-18-13)14-12(4-2)17-19-22-14/h11H,3-10H2,1-2H3
• InChIKey: HFALRTDNSHOIMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[5-(4-ethyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-propylpiperidine
• IUPAC Traditional name: 4-{[5-(4-ethyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-propylpiperidine
• Synonyms: 4-{[5-(4-ethyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl}-1-propylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.5691185
• LogD (pH = 7.4): 0.87656116
• Log P: 2.88771
• Molar Refractivity: 99.2746 cm^3
• Polarizability: 33.60094 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.45
• LOG S: -3.48
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 6