N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-3-{imidazo[1,2-a]pyridin-2-yl}propanamide

• ChemBase ID: 427647
• Molecular Formular: C18H20N4OS
• Molecular Mass: 340.4426
• Monoisotopic Mass: 340.13578228
• SMILES: n12c(nc(c1)CCC(=O)NCCc1nc3c(s1)CCC3)cccc2
• Canonical SMILES: O=C(CCc1nc2n(c1)cccc2)NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C18H20N4OS/c23-17(8-7-13-12-22-11-2-1-6-16(22)20-13)19-10-9-18-21-14-4-3-5-15(14)24-18/h1-2,6,11-12H,3-5,7-10H2,(H,19,23)
• InChIKey: HLIQZPNGRYZSIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• IUPAC Traditional name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• Synonyms: N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-imidazo[1,2-a]pyridin-2-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.357006
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.099827
• LogD (pH = 7.4): 1.8126197
• Log P: 1.8400018
• Molar Refractivity: 94.383 cm^3
• Polarizability: 35.713066 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.54
• LOG S: -3.0
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6