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

• ChemBase ID: 829369
• Molecular Formular: C10H15N3O2S2
• Molecular Mass: 273.375
• Monoisotopic Mass: 273.06056874
• SMILES: s1c(nnc1C)SCCNC(=O)[C@@H]1OCCC1
• Canonical SMILES: O=C([C@H]1CCCO1)NCCSc1nnc(s1)C
• InChI: InChI=1S/C10H15N3O2S2/c1-7-12-13-10(17-7)16-6-4-11-9(14)8-3-2-5-15-8/h8H,2-6H2,1H3,(H,11,14)/t8-/m1/s1
• InChIKey: ORDAWNZCODDAGR-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.188581
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3896309
• LogD (pH = 7.4): 0.38963327
• Log P: 0.38963336
• Molar Refractivity: 69.3986 cm^3
• Polarizability: 26.250486 Å^3
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.13
• LOG S: -2.71
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5