N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(2-ethyl-6-methylpyridin-3-yl)oxy]-N-methylacetamide

• ChemBase ID: 602383
• Molecular Formular: C18H25N3O2S
• Molecular Mass: 347.475
• Monoisotopic Mass: 347.16674806
• SMILES: c1(nc(sc1C)C)C(N(C(=O)COc1c(nc(cc1)C)CC)C)C
• Canonical SMILES: CCc1nc(C)ccc1OCC(=O)N(C(c1nc(sc1C)C)C)C
• InChI: InChI=1S/C18H25N3O2S/c1-7-15-16(9-8-11(2)19-15)23-10-17(22)21(6)12(3)18-13(4)24-14(5)20-18/h8-9,12H,7,10H2,1-6H3
• InChIKey: UTPGYPWJCNDFQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(2-ethyl-6-methylpyridin-3-yl)oxy]-N-methylacetamide
• IUPAC Traditional name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(2-ethyl-6-methylpyridin-3-yl)oxy]-N-methylacetamide
• Synonyms: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.527931
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8637642
• LogD (pH = 7.4): 2.4645789
• Log P: 2.4819987
• Molar Refractivity: 95.1641 cm^3
• Polarizability: 36.796963 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.52
• LOG S: -3.89
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 6