N-(3-fluoro-2-methylphenyl)-2-({2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}amino)acetamide

• ChemBase ID: 691071
• Molecular Formular: C19H19FN4OS
• Molecular Mass: 370.4437632
• Monoisotopic Mass: 370.12636047
• SMILES: c1(nc(cs1)CCNCC(=O)Nc1c(c(F)ccc1)C)c1cnccc1
• Canonical SMILES: O=C(Nc1cccc(c1C)F)CNCCc1csc(n1)c1cccnc1
• InChI: InChI=1S/C19H19FN4OS/c1-13-16(20)5-2-6-17(13)24-18(25)11-22-9-7-15-12-26-19(23-15)14-4-3-8-21-10-14/h2-6,8,10,12,22H,7,9,11H2,1H3,(H,24,25)
• InChIKey: DMFZLINABBOORW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluoro-2-methylphenyl)-2-({2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}amino)acetamide
• IUPAC Traditional name: N-(3-fluoro-2-methylphenyl)-2-({2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}amino)acetamide
• Synonyms: N-(3-fluoro-2-methylphenyl)-2-{[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.186725
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3093689
• LogD (pH = 7.4): 2.0525224
• Log P: 2.8843784
• Molar Refractivity: 111.2558 cm^3
• Polarizability: 38.51547 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.97
• LOG S: -3.58
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 7