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

• ChemBase ID: 711971
• Molecular Formular: C14H14N4O3S2
• Molecular Mass: 350.41596
• Monoisotopic Mass: 350.05073233
• SMILES: c1(n2c(nc1C)scc2)C(=O)NCc1ccc(S(=O)(=O)N)cc1
• Canonical SMILES: O=C(c1c(C)nc2n1ccs2)NCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H14N4O3S2/c1-9-12(18-6-7-22-14(18)17-9)13(19)16-8-10-2-4-11(5-3-10)23(15,20)21/h2-7H,8H2,1H3,(H,16,19)(H2,15,20,21)
• InChIKey: OCZFBAIYPNUVMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• IUPAC Traditional name: 6-methyl-N-[(4-sulfamoylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• Synonyms: N-[4-(aminosulfonyl)benzyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.217243
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2485773
• LogD (pH = 7.4): 0.24884589
• Log P: 0.24944228
• Molar Refractivity: 98.727 cm^3
• Polarizability: 33.401012 Å^3
• Polar Surface Area: 106.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.0
• LOG S: -3.46
• Polar Surface Area: 106.56 Å^2
• Rotatable Bonds: 4