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

• ChemBase ID: 261224
• Molecular Formular: C6H10ClN3OS
• Molecular Mass: 207.6811
• Monoisotopic Mass: 207.02331064
• SMILES: c1(NC(=O)CNC)nccs1.Cl
• Canonical SMILES: CNCC(=O)Nc1nccs1.Cl
• InChI: InChI=1S/C6H9N3OS.ClH/c1-7-4-5(10)9-6-8-2-3-11-6;/h2-3,7H,4H2,1H3,(H,8,9,10);1H
• InChIKey: XEEGJAOBOHKVAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-(1,3-thiazol-2-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-(methylamino)-N-(1,3-thiazol-2-yl)acetamide hydrochloride
• Synonyms: 2-(methylamino)-N-(1,3-thiazol-2-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD12912822
• PubChem SID: 164317134
• PubChem CID: 45791742

CALCULATED PROPERTIES

• Acid pKa: 10.623305
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5966716
• LogD (pH = 7.4): -0.87862146
• Log P: 0.06244952
• Molar Refractivity: 43.737 cm^3
• Polarizability: 16.425463 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 - 207°C
• Hydrophobicity(logP): -0.172

Product Information

• Purity: 95%