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

• ChemBase ID: 575347
• Molecular Formular: C13H15N5OS2
• Molecular Mass: 321.4211
• Monoisotopic Mass: 321.07180213
• SMILES: c1(n2c(nc1C)scc2)C(=O)NCc1c(nns1)C(C)C
• Canonical SMILES: O=C(c1c(C)nc2n1ccs2)NCc1snnc1C(C)C
• InChI: InChI=1S/C13H15N5OS2/c1-7(2)10-9(21-17-16-10)6-14-12(19)11-8(3)15-13-18(11)4-5-20-13/h4-5,7H,6H2,1-3H3,(H,14,19)
• InChIKey: DGHRQBFGZOXWTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.469909
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7386185
• LogD (pH = 7.4): 1.73947
• Log P: 1.7394809
• Molar Refractivity: 94.4441 cm^3
• Polarizability: 30.511887 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: 1.94
• LOG S: -3.2
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 4