CAS 4692-94-8

N-2-Benzothiazolyl-3-oxobutanamide

Description:

N-2-Benzothiazolyl-3-oxobutanamide, with the CAS number 4692-94-8, is an organic compound that features a benzothiazole moiety, which is a fused ring structure containing both benzene and thiazole. This compound typically exhibits characteristics such as being a solid at room temperature and may have a moderate solubility in organic solvents, depending on its specific structure and functional groups. The presence of the amide functional group suggests that it may engage in hydrogen bonding, influencing its physical properties and reactivity. Compounds like this are often studied for their potential biological activities, including antimicrobial or antifungal properties, due to the presence of the benzothiazole ring, which is known for its pharmacological significance. Additionally, the keto group in the structure may contribute to its reactivity in various chemical reactions, such as condensation or nucleophilic addition. Overall, N-2-Benzothiazolyl-3-oxobutanamide is of interest in both synthetic chemistry and medicinal chemistry for its diverse applications.

Formula: C₁₁H₁₀N₂O₂S

InChI: InChI=1S/C11H10N2O2S/c1-7(14)6-10(15)13-11-12-8-4-2-3-5-9(8)16-11/h2-5H,6H2,1H3,(H,12,13,15)

InChI key: InChIKey=KRVAVIMTIIEASB-UHFFFAOYSA-N

SMILES: N(C(CC(C)=O)=O)C1=NC=2C(S1)=CC=CC2

Synonyms:

• 2-(Acetoacetamido)benzothiazole
• Acetoacetamide, N-2-benzothiazolyl-
• Butanamide, N-2-benzothiazolyl-3-oxo-
• N-2-Benzothiazolyl-3-oxobutanamide
• NSC 86136
• butanamide, N-[(2E)-2(3H)-benzothiazolylidene]-3-oxo-