4-methyl-1,3-thiazole-5-carbohydrazide

• ChemBase ID: 270728
• Molecular Formular: C5H7N3OS
• Molecular Mass: 157.19358
• Monoisotopic Mass: 157.03098286
• SMILES: c1(C(=O)NN)c(ncs1)C
• Canonical SMILES: Cc1ncsc1C(=O)NN
• InChI: InChI=1S/C5H7N3OS/c1-3-4(5(9)8-6)10-2-7-3/h2H,6H2,1H3,(H,8,9)
• InChIKey: AZRMUFUNXPTTHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,3-thiazole-5-carbohydrazide
• IUPAC Traditional name: 4-methyl-1,3-thiazole-5-carbohydrazide
• Synonyms: 4-methyl-1,3-thiazole-5-carbohydrazide

Database IDs

• MDL Number: MFCD09815062
• PubChem SID: 164326638
• PubChem CID: 260530

CALCULATED PROPERTIES

• Acid pKa: 12.871107
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5505492
• LogD (pH = 7.4): -0.5499956
• Log P: -0.5499872
• Molar Refractivity: 39.2045 cm^3
• Polarizability: 14.250479 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): -0.666

Product Information

• Purity: 95%