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

• ChemBase ID: 101951
• Molecular Formular: C11H11N3OS
• Molecular Mass: 233.28954
• Monoisotopic Mass: 233.06228299
• SMILES: c1(sc(nc1C)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1sc(nc1C)c1ccccc1
• InChI: InChI=1S/C11H11N3OS/c1-7-9(10(15)14-12)16-11(13-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,14,15)
• InChIKey: GQSOVDYCSQOIJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 61292-08-8
• MDL Number: MFCD00174004
• PubChem SID: 162088023
• PubChem CID: 714543

CALCULATED PROPERTIES

• Acid pKa: 13.560074
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4741871
• LogD (pH = 7.4): 1.4747753
• Log P: 1.4747831
• Molar Refractivity: 74.3061 cm^3
• Polarizability: 24.418015 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.432

Product Information

• Purity: 95%; 97%