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

• ChemBase ID: 249980
• Molecular Formular: C6H9N3OS
• Molecular Mass: 171.22016
• Monoisotopic Mass: 171.04663292
• SMILES: n1c(scc1C)CC(=O)NN
• Canonical SMILES: Cc1csc(n1)CC(=O)NN
• InChI: InChI=1S/C6H9N3OS/c1-4-3-11-6(8-4)2-5(10)9-7/h3H,2,7H2,1H3,(H,9,10)
• InChIKey: RTOSURXTIRTROR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 448229-66-1
• MDL Number: MFCD01123583
• PubChem SID: 164305890
• PubChem CID: 4962835

CALCULATED PROPERTIES

• Acid pKa: 12.001694
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.32667503
• LogD (pH = 7.4): -0.3247511
• Log P: -0.32471636
• Molar Refractivity: 42.949 cm^3
• Polarizability: 16.253088 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 - 87°C
• Hydrophobicity(logP): -1.013

Product Information

• Purity: 95%