2-(dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide

• ChemBase ID: 639551
• Molecular Formular: C13H20N2O3S
• Molecular Mass: 284.3745
• Monoisotopic Mass: 284.11946351
• SMILES: c1(nc(sc1C)C)CC(=O)N[C@@H]1[C@H](COC1)OCC
• Canonical SMILES: CCO[C@H]1COC[C@@H]1NC(=O)Cc1nc(sc1C)C
• InChI: InChI=1S/C13H20N2O3S/c1-4-18-12-7-17-6-11(12)15-13(16)5-10-8(2)19-9(3)14-10/h11-12H,4-7H2,1-3H3,(H,15,16)/t11-,12-/m0/s1
• InChIKey: ZJTQGPPNGDSPEW-RYUDHWBXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-ethoxyoxolan-3-yl]acetamide
• Synonyms: 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Log P: 1.0521623
• Molar Refractivity: 72.6249 cm^3
• Polarizability: 28.296158 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 12.962702
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0470098
• LogD (pH = 7.4): 1.052096

供应商提供(Chembridge)

• Log P: -0.16
• LOG S: -2.45
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1