N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(1H-pyrazol-1-yl)butanamide

• ChemBase ID: 834242
• Molecular Formular: C14H17N5OS
• Molecular Mass: 303.38268
• Monoisotopic Mass: 303.11538119
• SMILES: c12n(cc(n1)CCNC(=O)C(n1nccc1)CC)ccs2
• Canonical SMILES: CCC(n1cccn1)C(=O)NCCc1cn2c(n1)scc2
• InChI: InChI=1S/C14H17N5OS/c1-2-12(19-7-3-5-16-19)13(20)15-6-4-11-10-18-8-9-21-14(18)17-11/h3,5,7-10,12H,2,4,6H2,1H3,(H,15,20)
• InChIKey: IUWXOXLPYINWEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(1H-pyrazol-1-yl)butanamide
• IUPAC Traditional name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(pyrazol-1-yl)butanamide
• Synonyms: N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-(1H-pyrazol-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.77611
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2305882
• LogD (pH = 7.4): 1.2498211
• Log P: 1.2500719
• Molar Refractivity: 103.027 cm^3
• Polarizability: 30.66999 Å^3
• Polar Surface Area: 64.22 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: 2.15
• LOG S: -3.25
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6