1,3-thiazole-2-carbohydrazide

• ChemBase ID: 813534
• Molecular Formular: C4H5N3OS
• Molecular Mass: 143.167
• Monoisotopic Mass: 143.0153328
• SMILES: s1c(ncc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1nccs1
• InChI: InChI=1S/C4H5N3OS/c5-7-3(8)4-6-1-2-9-4/h1-2H,5H2,(H,7,8)
• InChIKey: OPJYIWMGTSMLKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazole-2-carbohydrazide
• IUPAC Traditional name: 1,3-thiazole-2-carbohydrazide
• Synonyms: THIAZOLE-2-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 16733-90-7

CALCULATED PROPERTIES

• Acid pKa: 11.684788
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.43666697
• LogD (pH = 7.4): -0.43627712
• Log P: -0.4362519
• Molar Refractivity: 34.3061 cm^3
• Polarizability: 12.518207 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%