2-amino-4-methyl-1,3-thiazole-5-carbohydrazide

• ChemBase ID: 254053
• Molecular Formular: C5H8N4OS
• Molecular Mass: 172.20822
• Monoisotopic Mass: 172.0418819
• SMILES: c1(c(nc(s1)N)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc(nc1C)N
• InChI: InChI=1S/C5H8N4OS/c1-2-3(4(10)9-7)11-5(6)8-2/h7H2,1H3,(H2,6,8)(H,9,10)
• InChIKey: PHEJCYMNIYBSAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methyl-1,3-thiazole-5-carbohydrazide
• IUPAC Traditional name: 2-amino-4-methyl-1,3-thiazole-5-carbohydrazide
• Synonyms: 2-amino-4-methyl-1,3-thiazole-5-carbohydrazide

Database IDs

• CAS Number: 63788-59-0
• MDL Number: MFCD01916529
• PubChem SID: 164309963
• PubChem CID: 1201420

CALCULATED PROPERTIES

• Acid pKa: 13.858824
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.69728297
• LogD (pH = 7.4): -0.69469637
• Log P: -0.69466317
• Molar Refractivity: 43.3782 cm^3
• Polarizability: 15.415065 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.94

Product Information

• Purity: 95%