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

• ChemBase ID: 77625
• Molecular Formular: C5H7N3OS
• Molecular Mass: 157.19358
• Monoisotopic Mass: 157.03098286
• SMILES: n1c(C)scc1C(=O)NN
• Canonical SMILES: Cc1nc(cs1)C(=O)NN
• InChI: InChI=1S/C5H7N3OS/c1-3-7-4(2-10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
• InChIKey: ONAWFUIPKRAZKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,3-thiazole-4-carbohydrazide
• IUPAC Traditional name: 2-methyl-1,3-thiazole-4-carbohydrazide
• Synonyms: 2-Methyl-1,3-thiazole-4-carboxylic acid hydrazide; 4-(Hydrazinocarbonyl)-2-methyl-1,3-thiazole; 2-Methyl-1,3-thiazole-4-carbohydrazide; 2-Methylthiazole-4-carbohydrazide

Database IDs

• CAS Number: 101767-28-6
• MDL Number: MFCD00662677
• PubChem SID: 162042497
• PubChem CID: 2744058

CALCULATED PROPERTIES

• Acid pKa: 14.081373
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.30541006
• LogD (pH = 7.4): -0.3048885
• Log P: -0.30488175
• Molar Refractivity: 38.8976 cm^3
• Polarizability: 14.2485285 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-122°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 95+%; 96%; 98%