2-[5-(1-ethyl-1H-pyrazol-3-yl)-4-phenyl-1H-imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 447921
• Molecular Formular: C19H18N6OS
• Molecular Mass: 378.45082
• Monoisotopic Mass: 378.12628023
• SMILES: c1(c2nn(cc2)CC)n(cnc1c1ccccc1)CC(=O)Nc1nccs1
• Canonical SMILES: CCn1ccc(n1)c1n(cnc1c1ccccc1)CC(=O)Nc1nccs1
• InChI: InChI=1S/C19H18N6OS/c1-2-25-10-8-15(23-25)18-17(14-6-4-3-5-7-14)21-13-24(18)12-16(26)22-19-20-9-11-27-19/h3-11,13H,2,12H2,1H3,(H,20,22,26)
• InChIKey: VHWMHCQZYNLKJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(1-ethyl-1H-pyrazol-3-yl)-4-phenyl-1H-imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• Synonyms: 2-[5-(1-ethyl-1H-pyrazol-3-yl)-4-phenyl-1H-imidazol-1-yl]-N-1,3-thiazol-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.57354
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0564754
• LogD (pH = 7.4): 3.1036763
• Log P: 3.1046004
• Molar Refractivity: 116.011 cm^3
• Polarizability: 41.711124 Å^3
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.04
• LOG S: -5.41
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 6