N-(5-sulfamoyl-1,3-thiazol-2-yl)acetamide

• ChemBase ID: 275973
• Molecular Formular: C5H7N3O3S2
• Molecular Mass: 221.25738
• Monoisotopic Mass: 220.9928831
• SMILES: c1(S(=O)(=O)N)sc(nc1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ncc(s1)S(=O)(=O)N
• InChI: InChI=1S/C5H7N3O3S2/c1-3(9)8-5-7-2-4(12-5)13(6,10)11/h2H,1H3,(H2,6,10,11)(H,7,8,9)
• InChIKey: VDACKAUCWTUTDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-sulfamoyl-1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: N-(5-sulfamoyl-1,3-thiazol-2-yl)acetamide
• Synonyms: N-(5-sulfamoyl-1,3-thiazol-2-yl)acetamide

Database IDs

• MDL Number: MFCD19381991
• PubChem SID: 164331883
• PubChem CID: 21957442

CALCULATED PROPERTIES

• Acid pKa: 8.135212
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6748646
• LogD (pH = 7.4): -0.738351
• Log P: -0.6739743
• Molar Refractivity: 46.9205 cm^3
• Polarizability: 18.590199 Å^3
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.521

Product Information

• Purity: 95%