N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase ID: 623517
• Molecular Formular: C12H17N3O3S
• Molecular Mass: 283.34668
• Monoisotopic Mass: 283.09906242
• SMILES: C1(=O)N(CC(=O)N(CCc2c(ncs2)C)C)CCO1
• Canonical SMILES: O=C(N(CCc1scnc1C)C)CN1CCOC1=O
• InChI: InChI=1S/C12H17N3O3S/c1-9-10(19-8-13-9)3-4-14(2)11(16)7-15-5-6-18-12(15)17/h8H,3-7H2,1-2H3
• InChIKey: FRXNEKDVFGYVPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• Synonyms: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.418798
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.08136832
• LogD (pH = 7.4): -0.081044614
• Log P: -0.08104049
• Molar Refractivity: 70.6761 cm^3
• Polarizability: 27.10029 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.17
• LOG S: -2.43
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5