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

• ChemBase ID: 626423
• Molecular Formular: C18H24N4OS
• Molecular Mass: 344.47436
• Monoisotopic Mass: 344.16708241
• SMILES: n1c(scc1CC)CCNC(=O)C(N1CCCC1)c1cnccc1
• Canonical SMILES: CCc1csc(n1)CCNC(=O)C(c1cccnc1)N1CCCC1
• InChI: InChI=1S/C18H24N4OS/c1-2-15-13-24-16(21-15)7-9-20-18(23)17(22-10-3-4-11-22)14-6-5-8-19-12-14/h5-6,8,12-13,17H,2-4,7,9-11H2,1H3,(H,20,23)
• InChIKey: PJZJQEHPQAZICQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.929721
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.037891038
• LogD (pH = 7.4): 1.5244683
• Log P: 1.7347918
• Molar Refractivity: 95.5994 cm^3
• Polarizability: 37.133736 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.28
• LOG S: -2.36
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 7