2-(4-methyl-1,3-thiazol-2-yl)acetamide

• ChemBase ID: 91955
• Molecular Formular: C6H8N2OS
• Molecular Mass: 156.20552
• Monoisotopic Mass: 156.03573389
• SMILES: n1c(CC(=O)N)scc1C
• Canonical SMILES: Cc1csc(n1)CC(=O)N
• InChI: InChI=1S/C6H8N2OS/c1-4-3-10-6(8-4)2-5(7)9/h3H,2H2,1H3,(H2,7,9)
• InChIKey: AOBLTBKNIPVVET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-(4-methyl-1,3-thiazol-2-yl)acetamide
• Synonyms: 2-(4-Methylthiazol-2-yl)acetamide 97%; 2-(4-methyl-1,3-thiazol-2-yl)acetamide

Database IDs

• CAS Number: 173739-73-6
• MDL Number: MFCD02180665
• PubChem SID: 162078653
• PubChem CID: 712445

CALCULATED PROPERTIES

• Acid pKa: 15.380276
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.02844277
• LogD (pH = 7.4): -0.028243212
• Log P: -0.028240671
• Molar Refractivity: 38.4649 cm^3
• Polarizability: 14.818289 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-130°C
• Partition Coefficient: -0.499

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%