N-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 730132
• Molecular Formular: C11H12N6OS
• Molecular Mass: 276.31758
• Monoisotopic Mass: 276.07933003
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCCn1nnc(c1)C
• Canonical SMILES: Cc1cn(nn1)CCNC(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C11H12N6OS/c1-8-6-17(15-14-8)3-2-12-10(18)9-7-16-4-5-19-11(16)13-9/h4-7H,2-3H2,1H3,(H,12,18)
• InChIKey: WYFRCTCHDIFTJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[2-(4-methyl-1,2,3-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.237911
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.23345478
• LogD (pH = 7.4): 0.23349215
• Log P: 0.23349269
• Molar Refractivity: 93.0564 cm^3
• Polarizability: 25.915756 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: 4
• H Donor: 1
• Log P: 1.5
• LOG S: -2.5
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 4