2-(4-amino-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)acetamide

• ChemBase ID: 252262
• Molecular Formular: C5H7N3O2S
• Molecular Mass: 173.19298
• Monoisotopic Mass: 173.02589748
• SMILES: [nH]1c(c(sc1=O)CC(=O)N)N
• Canonical SMILES: NC(=O)Cc1sc(=O)[nH]c1N
• InChI: InChI=1S/C5H7N3O2S/c6-3(9)1-2-4(7)8-5(10)11-2/h1,7H2,(H2,6,9)(H,8,10)
• InChIKey: PLRKLQVVFDGPBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-amino-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)acetamide
• IUPAC Traditional name: 2-(4-amino-2-oxo-3H-1,3-thiazol-5-yl)acetamide
• Synonyms: 2-(4-amino-2-oxo-2,3-dihydro-1,3-thiazol-5-yl)acetamide

Database IDs

• MDL Number: MFCD08444249
• PubChem SID: 164308172
• PubChem CID: 16227139

CALCULATED PROPERTIES

• Acid pKa: 10.017258
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.306134
• LogD (pH = 7.4): -1.306108
• Log P: -1.3051668
• Molar Refractivity: 51.4508 cm^3
• Polarizability: 15.746698 Å^3
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.791

Product Information

• Purity: 95%