2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

• ChemBase ID: 270587
• Molecular Formular: C9H8N2O2S
• Molecular Mass: 208.23702
• Monoisotopic Mass: 208.03064851
• SMILES: c1(nc(CC(=O)N)cs1)c1occc1
• Canonical SMILES: NC(=O)Cc1csc(n1)c1ccco1
• InChI: InChI=1S/C9H8N2O2S/c10-8(12)4-6-5-14-9(11-6)7-2-1-3-13-7/h1-3,5H,4H2,(H2,10,12)
• InChIKey: UFGFDBFEPNOWMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
• IUPAC Traditional name: 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
• Synonyms: 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

Database IDs

• MDL Number: MFCD11644012
• PubChem SID: 164326497
• PubChem CID: 43244742

CALCULATED PROPERTIES

• Acid pKa: 15.127198
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9337011
• LogD (pH = 7.4): 0.93371135
• Log P: 0.93371147
• Molar Refractivity: 61.5167 cm^3
• Polarizability: 20.20366 Å^3
• Polar Surface Area: 69.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 0.282

Product Information

• Purity: 95%