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

• ChemBase ID: 124147
• Molecular Formular: C5H8ClN3OS
• Molecular Mass: 193.65452
• Monoisotopic Mass: 193.00766057
• SMILES: c1(NC(=O)CN)nccs1.Cl
• Canonical SMILES: NCC(=O)Nc1nccs1.Cl
• InChI: InChI=1S/C5H7N3OS.ClH/c6-3-4(9)8-5-7-1-2-10-5;/h1-2H,3,6H2,(H,7,8,9);1H
• InChIKey: IQNPGISPCFLJPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913093
• PubChem SID: 162218500
• PubChem CID: 45791995

CALCULATED PROPERTIES

• Acid pKa: 10.622462
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.741364
• LogD (pH = 7.4): -1.0475212
• Log P: -0.37013087
• Molar Refractivity: 38.9624 cm^3
• Polarizability: 14.603359 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): -0.514

Product Information

• Purity: 95%
• Salt Data: HCl