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

• ChemBase ID: 419111
• Molecular Formular: C18H24N4O2S
• Molecular Mass: 360.47376
• Monoisotopic Mass: 360.16199703
• SMILES: n1c(c(sc1C)CNC(=O)C(N1CCOCC1)c1cnccc1)CC
• Canonical SMILES: CCc1nc(sc1CNC(=O)C(c1cccnc1)N1CCOCC1)C
• InChI: InChI=1S/C18H24N4O2S/c1-3-15-16(25-13(2)21-15)12-20-18(23)17(14-5-4-6-19-11-14)22-7-9-24-10-8-22/h4-6,11,17H,3,7-10,12H2,1-2H3,(H,20,23)
• InChIKey: LFKRJVXYUDDXAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide
• Synonyms: N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-morpholinyl)-2-(3-pyridinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.490926
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0056493
• LogD (pH = 7.4): 1.0551535
• Log P: 1.0558188
• Molar Refractivity: 97.3313 cm^3
• Polarizability: 37.762115 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.66
• LOG S: -1.09
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6