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

• ChemBase ID: 396543
• Molecular Formular: C18H24N4O2S
• Molecular Mass: 360.47376
• Monoisotopic Mass: 360.16199703
• SMILES: C(=O)(C(N1CCOCC1)c1cnccc1)N(CCc1c(ncs1)C)C
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)N(CCc1scnc1C)C
• InChI: InChI=1S/C18H24N4O2S/c1-14-16(25-13-20-14)5-7-21(2)18(23)17(15-4-3-6-19-12-15)22-8-10-24-11-9-22/h3-4,6,12-13,17H,5,7-11H2,1-2H3
• InChIKey: QHUCLIFXLRITFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5883325
• LogD (pH = 7.4): 0.74220866
• Log P: 0.74455553
• Molar Refractivity: 98.0258 cm^3
• Polarizability: 37.842247 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.21
• LOG S: -2.02
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6