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

• ChemBase ID: 776789
• Molecular Formular: C15H22N6O3S
• Molecular Mass: 366.43858
• Monoisotopic Mass: 366.14740959
• SMILES: c1(nc(no1)C)C1N(C(=O)Nc2sc(nn2)CCOCC)CCCC1
• Canonical SMILES: CCOCCc1nnc(s1)NC(=O)N1CCCCC1c1onc(n1)C
• InChI: InChI=1S/C15H22N6O3S/c1-3-23-9-7-12-18-19-14(25-12)17-15(22)21-8-5-4-6-11(21)13-16-10(2)20-24-13/h11H,3-9H2,1-2H3,(H,17,19,22)
• InChIKey: ZMWHPWCECUQRFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.26411
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.4344879
• LogD (pH = 7.4): 1.433923
• Log P: 1.4344959
• Molar Refractivity: 95.6051 cm^3
• Polarizability: 34.55054 Å^3
• Polar Surface Area: 106.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.14
• LOG S: -3.31
• Polar Surface Area: 106.27 Å^2
• Rotatable Bonds: 6