N-(1,3,4-thiadiazol-2-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide

• ChemBase ID: 321736
• Molecular Formular: C12H18N4OS
• Molecular Mass: 266.36252
• Monoisotopic Mass: 266.12013222
• SMILES: C(=O)(Nc1scnn1)N1C2CCCC1CCCC2
• Canonical SMILES: O=C(N1C2CCCCC1CCC2)Nc1scnn1
• InChI: InChI=1S/C12H18N4OS/c17-12(14-11-15-13-8-18-11)16-9-4-1-2-5-10(16)7-3-6-9/h8-10H,1-7H2,(H,14,15,17)
• InChIKey: NLCPDBSKKDZPSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3,4-thiadiazol-2-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide
• IUPAC Traditional name: N-(1,3,4-thiadiazol-2-yl)-10-azabicyclo[4.3.1]decane-10-carboxamide
• Synonyms: N-1,3,4-thiadiazol-2-yl-10-azabicyclo[4.3.1]decane-10-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.194262
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0488853
• LogD (pH = 7.4): 2.0482318
• Log P: 2.048894
• Molar Refractivity: 72.421 cm^3
• Polarizability: 26.608599 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.87
• LOG S: -2.74
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1