2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 546401
• Molecular Formular: C14H18N4OS2
• Molecular Mass: 322.44892
• Monoisotopic Mass: 322.09220322
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)Cc1nc(sc1)SCC
• Canonical SMILES: CCSc1scc(n1)CC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H18N4OS2/c1-2-20-14-16-10(9-21-14)7-13(19)17-12-8-15-11-5-3-4-6-18(11)12/h8-9H,2-7H2,1H3,(H,17,19)
• InChIKey: TYMMIWOYTYAMSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: 2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: 2-[2-(ethylthio)-1,3-thiazol-4-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.665083
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.965671
• LogD (pH = 7.4): 2.6142428
• Log P: 2.6445696
• Molar Refractivity: 86.5511 cm^3
• Polarizability: 32.67129 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.9
• LOG S: -3.17
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5