5-(1H-imidazol-2-yl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 833810
• Molecular Formular: C18H17N5OS
• Molecular Mass: 351.42548
• Monoisotopic Mass: 351.11538119
• SMILES: c1(c(n2c(n1)scc2)c1ncc[nH]1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1c1ncc[nH]1)ccs2)CCc1ccccc1
• InChI: InChI=1S/C18H17N5OS/c1-22(10-7-13-5-3-2-4-6-13)17(24)14-15(16-19-8-9-20-16)23-11-12-25-18(23)21-14/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,20)
• InChIKey: FLXCZBFKKNHIQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-imidazol-2-yl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: 5-(1H-imidazol-2-yl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: 5-(1H-imidazol-2-yl)-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.624265
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1002395
• LogD (pH = 7.4): 2.3127713
• Log P: 2.3165293
• Molar Refractivity: 119.3137 cm^3
• Polarizability: 37.0253 Å^3
• Polar Surface Area: 66.29 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: 2.63
• LOG S: -4.0
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 5