N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 707106
• Molecular Formular: C11H11N5OS2
• Molecular Mass: 293.36794
• Monoisotopic Mass: 293.040502
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCc1nnc(s1)CC
• Canonical SMILES: CCc1nnc(s1)CNC(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C11H11N5OS2/c1-2-8-14-15-9(19-8)5-12-10(17)7-6-16-3-4-18-11(16)13-7/h3-4,6H,2,5H2,1H3,(H,12,17)
• InChIKey: ZJCIZTRBMRPLTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.898958
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.64966947
• LogD (pH = 7.4): 0.6497031
• Log P: 0.6497037
• Molar Refractivity: 85.4539 cm^3
• Polarizability: 26.93115 Å^3
• Polar Surface Area: 72.18 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: 0.86
• LOG S: -2.08
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 4