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

• ChemBase ID: 252266
• Molecular Formular: C6H9N3O2S
• Molecular Mass: 187.21956
• Monoisotopic Mass: 187.04154754
• SMILES: n1(c(=O)scc1C)CC(=O)NN
• Canonical SMILES: Cc1csc(=O)n1CC(=O)NN
• InChI: InChI=1S/C6H9N3O2S/c1-4-3-12-6(11)9(4)2-5(10)8-7/h3H,2,7H2,1H3,(H,8,10)
• InChIKey: ZEWVZMWZQWLFBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08262821
• PubChem SID: 164308176
• PubChem CID: 9504048

CALCULATED PROPERTIES

• Acid pKa: 12.225387
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8346237
• LogD (pH = 7.4): -0.83369464
• Log P: -0.8336768
• Molar Refractivity: 48.0382 cm^3
• Polarizability: 17.833689 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.938

Product Information

• Purity: 95%