N-({2-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-2-(1H-1,2,4-triazol-1-yl)acetamide

• ChemBase ID: 718564
• Molecular Formular: C11H12N6OS
• Molecular Mass: 276.31758
• Monoisotopic Mass: 276.07933003
• SMILES: c12n(cc(n1)CNC(=O)Cn1ncnc1)cc(s2)C
• Canonical SMILES: Cc1cn2c(s1)nc(c2)CNC(=O)Cn1cncn1
• InChI: InChI=1S/C11H12N6OS/c1-8-3-16-4-9(15-11(16)19-8)2-13-10(18)5-17-7-12-6-14-17/h3-4,6-7H,2,5H2,1H3,(H,13,18)
• InChIKey: RBFYIJSESHTCAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
• IUPAC Traditional name: N-({2-methylimidazo[2,1-b][1,3]thiazol-6-yl}methyl)-2-(1,2,4-triazol-1-yl)acetamide
• Synonyms: N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(1H-1,2,4-triazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.77797
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14243668
• LogD (pH = 7.4): -0.11919248
• Log P: -0.11888626
• Molar Refractivity: 93.5401 cm^3
• Polarizability: 26.095724 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.06
• LOG S: -2.65
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 4