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

• ChemBase ID: 231305
• Molecular Formular: C6H9N3OS
• Molecular Mass: 171.22016
• Monoisotopic Mass: 171.04663292
• SMILES: n1c(CC(=O)NN)csc1C
• Canonical SMILES: Cc1nc(cs1)CC(=O)NN
• InChI: InChI=1S/C6H9N3OS/c1-4-8-5(3-11-4)2-6(10)9-7/h3H,2,7H2,1H3,(H,9,10)
• InChIKey: NDJALHUEWYOORP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
• IUPAC Traditional name: 2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
• Synonyms: (2-Methyl-thiazol-4-yl)-acetic acid hydrazide

Database IDs

• CAS Number: 496057-29-5
• MDL Number: MFCD03789239
• PubChem SID: 164287215
• PubChem CID: 2060302

CALCULATED PROPERTIES

• Acid pKa: 11.987733
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.32783377
• LogD (pH = 7.4): -0.32476604
• Log P: -0.32471636
• Molar Refractivity: 42.949 cm^3
• Polarizability: 16.25335 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): -1.013

Product Information

• Purity: 95%