CAS 743457-06-9

2-[[5-[(3,5-Dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid

Description:

2-[[5-[(3,5-Dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid, with the CAS number 743457-06-9, is a chemical compound characterized by its unique structure that includes a thiadiazole ring and a propanoic acid moiety. This compound features a thioether linkage, which contributes to its reactivity and potential biological activity. The presence of the 3,5-dimethylphenyl group suggests that it may exhibit hydrophobic properties, influencing its solubility and interaction with biological membranes. The thiadiazole ring is known for its role in various pharmacological activities, including antimicrobial and anti-inflammatory effects. As a propanoic acid derivative, it may also exhibit acidic properties, which can affect its behavior in biological systems. Overall, this compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of therapeutic agents. However, specific details regarding its physical properties, such as melting point, solubility, and stability, would require empirical data for comprehensive characterization.

Formula: C₁₃H₁₅N₃O₂S₂

InChI: InChI=1S/C13H15N3O2S2/c1-7-4-8(2)6-10(5-7)14-12-15-16-13(20-12)19-9(3)11(17)18/h4-6,9H,1-3H3,(H,14,15)(H,17,18)

InChI key: InChIKey=PLLZVLJAYWWDSC-UHFFFAOYSA-N

SMILES: N(C=1SC(SC(C(O)=O)C)=NN1)C2=CC(C)=CC(C)=C2

Synonyms:

• 2-[[5-[(3,5-Dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]thio]propanoic acid
• Propanoic acid, 2-[[5-[(3,5-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]thio]-