2-(2-amino-1,3-thiazol-4-yl)acetohydrazide

• ChemBase ID: 254927
• Molecular Formular: C5H8N4OS
• Molecular Mass: 172.20822
• Monoisotopic Mass: 172.0418819
• SMILES: n1c(scc1CC(=O)NN)N
• Canonical SMILES: NNC(=O)Cc1csc(n1)N
• InChI: InChI=1S/C5H8N4OS/c6-5-8-3(2-11-5)1-4(10)9-7/h2H,1,7H2,(H2,6,8)(H,9,10)
• InChIKey: YBRQONJVBBCGGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-1,3-thiazol-4-yl)acetohydrazide
• IUPAC Traditional name: 2-(2-amino-1,3-thiazol-4-yl)acetohydrazide
• Synonyms: 2-(2-amino-1,3-thiazol-4-yl)acetohydrazide

Database IDs

• MDL Number: MFCD01924764
• PubChem SID: 164310837
• PubChem CID: 1201419

CALCULATED PROPERTIES

• Acid pKa: 11.972915
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.6360291
• LogD (pH = 7.4): -0.593044
• Log P: -0.59245706
• Molar Refractivity: 42.682 cm^3
• Polarizability: 15.671557 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.769

Product Information

• Purity: 95%