N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

• ChemBase ID: 648019
• Molecular Formular: C12H17N5O2S2
• Molecular Mass: 327.42568
• Monoisotopic Mass: 327.08236681
• SMILES: s1c(nnc1C)SCC(=O)N(Cc1nnc(o1)CC)CC
• Canonical SMILES: CCN(C(=O)CSc1nnc(s1)C)Cc1nnc(o1)CC
• InChI: InChI=1S/C12H17N5O2S2/c1-4-9-14-15-10(19-9)6-17(5-2)11(18)7-20-12-16-13-8(3)21-12/h4-7H2,1-3H3
• InChIKey: GLPPQXACXIEIGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
• IUPAC Traditional name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
• Synonyms: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.675535
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.049631786
• LogD (pH = 7.4): -0.0496295
• Log P: -0.04962947
• Molar Refractivity: 84.5913 cm^3
• Polarizability: 30.958828 Å^3
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.87
• LOG S: -2.15
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 7