1,3-thiazole-5-carbohydrazide

• ChemBase ID: 90252
• Molecular Formular: C4H5N3OS
• Molecular Mass: 143.167
• Monoisotopic Mass: 143.0153328
• SMILES: s1c(cnc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cncs1
• InChI: InChI=1S/C4H5N3OS/c5-7-4(8)3-1-6-2-9-3/h1-2H,5H2,(H,7,8)
• InChIKey: PNAGFBYMIAMVGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazole-5-carbohydrazide
• IUPAC Traditional name: 1,3-thiazole-5-carbohydrazide
• Synonyms: 1,3-Thiazole-5-carboxylic acid hydrazide; 1,3-Thiazole-5-carbohydrazide; Thiazole-5-carbohydrazide; THIAZOLE-5-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 101257-37-8
• PubChem SID: 162077086
• PubChem CID: 468665

CALCULATED PROPERTIES

• Acid pKa: 10.619444
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6818569
• LogD (pH = 7.4): -0.6815958
• Log P: -0.6813574
• Molar Refractivity: 34.613 cm^3
• Polarizability: 12.515549 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 98%