6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide

• ChemBase ID: 42106
• Molecular Formular: C7H8N4OS
• Molecular Mass: 196.22962
• Monoisotopic Mass: 196.0418819
• SMILES: c1(n2c(nc1C)scc2)C(=O)NN
• Canonical SMILES: Cc1nc2n(c1C(=O)NN)ccs2
• InChI: InChI=1S/C7H8N4OS/c1-4-5(6(12)10-8)11-2-3-13-7(11)9-4/h2-3H,8H2,1H3,(H,10,12)
• InChIKey: LPBZKHDAKWWKDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide
• IUPAC Traditional name: 6-methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide
• Synonyms: 6-Methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide

Database IDs

• CAS Number: 161563-79-7
• MDL Number: MFCD03086213
• PubChem SID: 162046869
• PubChem CID: 373104

CALCULATED PROPERTIES

• Acid pKa: 14.234309
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.584339
• LogD (pH = 7.4): -0.58281946
• Log P: -0.5828
• Molar Refractivity: 61.5439 cm^3
• Polarizability: 18.111584 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 184 °C; 183-184°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%