N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}oxolane-3-carboxamide

• ChemBase ID: 416186
• Molecular Formular: C11H17N3O2S2
• Molecular Mass: 287.40158
• Monoisotopic Mass: 287.0762188
• SMILES: s1c(nnc1C)SCCCNC(=O)C1COCC1
• Canonical SMILES: O=C(C1COCC1)NCCCSc1nnc(s1)C
• InChI: InChI=1S/C11H17N3O2S2/c1-8-13-14-11(18-8)17-6-2-4-12-10(15)9-3-5-16-7-9/h9H,2-7H2,1H3,(H,12,15)
• InChIKey: HNSKYWWFGDLPNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}oxolane-3-carboxamide
• IUPAC Traditional name: N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}oxolane-3-carboxamide
• Synonyms: N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Log P: 0.29421294
• Molar Refractivity: 74.366 cm^3
• Polarizability: 28.07555 Å^3
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.75252
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.29421043
• LogD (pH = 7.4): 0.29421288

供应商提供(Chembridge)

• Log P: 0.1
• LOG S: -2.69
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 1