CAS 107811-08-5

4-oxo-4-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}butanoic acid

Description:

4-Oxo-4-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}butanoic acid is a chemical compound characterized by its unique structure, which includes a butanoic acid moiety and a thiadiazole ring. The presence of the 4-oxo group indicates a ketone functionality, contributing to its reactivity and potential applications in organic synthesis. The thiadiazole ring, which contains sulfur and nitrogen, is known for its biological activity, making this compound of interest in medicinal chemistry. The isopropyl group attached to the thiadiazole enhances lipophilicity, potentially influencing the compound's pharmacokinetic properties. This compound may exhibit various chemical properties, including solubility in polar solvents and potential interactions with biological targets due to its functional groups. Its CAS number, 107811-08-5, allows for easy identification in chemical databases, facilitating research and development in fields such as pharmaceuticals and agrochemicals. Overall, the combination of functional groups in this compound suggests potential utility in drug design and development.

Formula: C₉H₁₃N₃O₃S

InChI: InChI=1/C9H13N3O3S/c1-5(2)8-11-12-9(16-8)10-6(13)3-4-7(14)15/h5H,3-4H2,1-2H3,(H,14,15)(H,10,12,13)

SMILES: CC(C)c1nnc(N=C(CCC(=O)O)O)s1

Synonyms:

• 4-[(5-Isopropyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid
• Butanoic Acid, 4-[[5-(1-Methylethyl)-1,3,4-Thiadiazol-2-Yl]Amino]-4-Oxo-

3-{[5-(Propan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoic acid

CAS: 107811-08-5

Versatile small molecule scaffold

Formula: C₉H₁₃N₃O₃S

Purity: Min. 95%

Molecular weight: 243.29 g/mol

Ref: 3D-HEA81108