2-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

• ChemBase ID: 308340
• Molecular Formular: C5H7ClN2OS
• Molecular Mass: 178.63988
• Monoisotopic Mass: 177.99676153
• SMILES: C1(=NCCS1)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NC1=NCCS1
• InChI: InChI=1S/C5H7ClN2OS/c6-3-4(9)8-5-7-1-2-10-5/h1-3H2,(H,7,8,9)
• InChIKey: ASQFHUIHYKAOIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
• Synonyms: 2-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

Database IDs

• CAS Number: 80650-47-1
• MDL Number: MFCD03362677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.56756586
• LogD (pH = 7.4): 0.5297174
• Log P: 0.67471164
• Molar Refractivity: 41.8923 cm^3
• Polarizability: 16.167353 Å^3
• Polar Surface Area: 41.46 Å^2