2-ethyl-4-methyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-1,3-thiazole-5-carboxamide

• ChemBase ID: 687751
• Molecular Formular: C13H19N3O3S
• Molecular Mass: 297.37326
• Monoisotopic Mass: 297.11471248
• SMILES: c1(c(nc(s1)CC)C)C(=O)NCCN1C(=O)OCCC1
• Canonical SMILES: Cc1nc(sc1C(=O)NCCN1CCCOC1=O)CC
• InChI: InChI=1S/C13H19N3O3S/c1-3-10-15-9(2)11(20-10)12(17)14-5-7-16-6-4-8-19-13(16)18/h3-8H2,1-2H3,(H,14,17)
• InChIKey: OQZZAXVYWRYELH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-methyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: 2-ethyl-4-methyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
• Synonyms: 2-ethyl-4-methyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.89462
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5469562
• LogD (pH = 7.4): 0.54702884
• Log P: 0.5470299
• Molar Refractivity: 75.495 cm^3
• Polarizability: 28.661348 Å^3
• Polar Surface Area: 71.53 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: 1.84
• LOG S: -2.94
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5