(2R)-N-methyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}oxolane-2-carboxamide

• ChemBase ID: 712133
• Molecular Formular: C14H16N2O2S2
• Molecular Mass: 308.41904
• Monoisotopic Mass: 308.06531976
• SMILES: n1c(scc1CN(C(=O)[C@@H]1OCCC1)C)c1sccc1
• Canonical SMILES: O=C(N(Cc1csc(n1)c1cccs1)C)[C@H]1CCCO1
• InChI: InChI=1S/C14H16N2O2S2/c1-16(14(17)11-4-2-6-18-11)8-10-9-20-13(15-10)12-5-3-7-19-12/h3,5,7,9,11H,2,4,6,8H2,1H3/t11-/m1/s1
• InChIKey: ILEZLKGKSWWJPO-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-N-methyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}oxolane-2-carboxamide
• IUPAC Traditional name: (2R)-N-methyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}oxolane-2-carboxamide
• Synonyms: (2R)-N-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.925907
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.127326
• LogD (pH = 7.4): 2.1273518
• Log P: 2.127352
• Molar Refractivity: 89.2893 cm^3
• Polarizability: 31.152536 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.39
• LOG S: -2.64
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4