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

• ChemBase ID: 87818
• Molecular Formular: C5H6N2OS
• Molecular Mass: 142.17894
• Monoisotopic Mass: 142.02008382
• SMILES: n1c(NC(=O)C)scc1
• Canonical SMILES: CC(=O)Nc1nccs1
• InChI: InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
• InChIKey: WXPLRSVMGRAIGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: acetamide, N-2-thiazolyl-
• Synonyms: N-(Thiazol-2-yl)acetamide; N-(Thiazol-2-yl)acetamide; 2-Acetamido-1,3-thiazole 98%; N-(2-Thiazolyl)acetamide; 2-Acetamidothiazole; 2-ACETAMINOTHIAZOLE; N-(2-噻唑基)乙酰胺; 2-乙酰胺基噻唑; 2-乙酸胺基噻唑

Database IDs

• CAS Number: 2719-23-5
• EC Number: 220-321-1
• MDL Number: MFCD00016892
• PubChem SID: 24883577; 162074858
• PubChem CID: 17625

CALCULATED PROPERTIES

• Acid pKa: 10.821023
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.55399597
• LogD (pH = 7.4): 0.5538425
• Log P: 0.55399895
• Molar Refractivity: 35.6027 cm^3
• Polarizability: 13.075887 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202-204°C; 202-206 °C (dec.)(lit.); 204-206°C

Safety Information

• Storage Warning: Irritant/Keep Cold
• RTECS: AC8800000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%
• Empirical Formula (Hill Notation): C5H6N2OS

DETAILS

MP Biomedicals - 05206430

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 648388

Packaging
5 g in glass bottle