1,3-thiazole-4-carbohydrazide

• ChemBase ID: 816148
• Molecular Formular: C4H5N3OS
• Molecular Mass: 143.167
• Monoisotopic Mass: 143.0153328
• SMILES: s1cnc(c1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cscn1
• InChI: InChI=1S/C4H5N3OS/c5-7-4(8)3-1-9-2-6-3/h1-2H,5H2,(H,7,8)
• InChIKey: PZCUPAZNRMQILK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazole-4-carbohydrazide
• IUPAC Traditional name: 1,3-thiazole-4-carbohydrazide
• Synonyms: THIAZOLE-4-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 101257-38-9

CALCULATED PROPERTIES

• Acid pKa: 13.858129
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.42846063
• LogD (pH = 7.4): -0.4279531
• Log P: -0.42794648
• Molar Refractivity: 34.4569 cm^3
• Polarizability: 12.511286 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%