N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 639922
• Molecular Formular: C19H20N4OS
• Molecular Mass: 352.4533
• Monoisotopic Mass: 352.13578228
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NCCc1nc2c(s1)CCC2
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C19H20N4OS/c24-17(20-10-9-18-22-15-7-4-8-16(15)25-18)13-23-12-11-21-19(23)14-5-2-1-3-6-14/h1-3,5-6,11-12H,4,7-10,13H2,(H,20,24)
• InChIKey: VSHRDWAXMAVREG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.172176
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1422405
• LogD (pH = 7.4): 2.6867285
• Log P: 2.7054248
• Molar Refractivity: 108.0575 cm^3
• Polarizability: 37.978855 Å^3
• Polar Surface Area: 59.81 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: 2.69
• LOG S: -4.07
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6