N-[2-(dimethylsulfamoyl)ethyl]-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide

• ChemBase ID: 472564
• Molecular Formular: C11H16N4O3S2
• Molecular Mass: 316.39974
• Monoisotopic Mass: 316.06638239
• SMILES: S(=O)(=O)(N(C)C)CCNC(=O)Cc1nc2n(c1)ccs2
• Canonical SMILES: CN(S(=O)(=O)CCNC(=O)Cc1nc2n(c1)ccs2)C
• InChI: InChI=1S/C11H16N4O3S2/c1-14(2)20(17,18)6-3-12-10(16)7-9-8-15-4-5-19-11(15)13-9/h4-5,8H,3,6-7H2,1-2H3,(H,12,16)
• InChIKey: BUFYJFKXBDDJQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylsulfamoyl)ethyl]-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide
• IUPAC Traditional name: N-[2-(dimethylsulfamoyl)ethyl]-2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetamide
• Synonyms: N-{2-[(dimethylamino)sulfonyl]ethyl}-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.79996
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.88706946
• LogD (pH = 7.4): -0.873822
• Log P: -0.8736503
• Molar Refractivity: 87.182 cm^3
• Polarizability: 29.697443 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.52
• LOG S: -1.95
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5