CAS 1119451-34-1
:1-(4-Chloro-1,2,5-thiadiazol-3-yl)hexahydro-1H-azepine
Description:
1-(4-Chloro-1,2,5-thiadiazol-3-yl)hexahydro-1H-azepine is a chemical compound characterized by its unique structural features, which include a hexahydro-1H-azepine ring fused with a 4-chloro-1,2,5-thiadiazole moiety. The presence of the thiadiazole ring contributes to its potential biological activity, as thiadiazoles are known for their diverse pharmacological properties. The chlorine substituent on the thiadiazole enhances its reactivity and may influence its interaction with biological targets. This compound is likely to exhibit moderate to high lipophilicity due to the azepine structure, which can affect its solubility and permeability in biological systems. Additionally, the presence of nitrogen and sulfur atoms in the structure may impart unique electronic properties, making it a candidate for various applications in medicinal chemistry and agrochemicals. Overall, the combination of these features suggests that this compound could be of interest for further research in drug development or as a potential agrochemical agent.
Formula:C8H12ClN3S
InChI:InChI=1S/C8H12ClN3S/c9-7-8(11-13-10-7)12-5-3-1-2-4-6-12/h1-6H2
InChI key:InChIKey=NCWGMSUYBQOJMV-UHFFFAOYSA-N
SMILES:ClC=1C(=NSN1)N2CCCCCC2
Synonyms:- 3-(1-Azepanyl)-4-chloro-1,2,5-thiadiazole
- 1-(4-Chloro-1,2,5-thiadiazol-3-yl)hexahydro-1H-azepine
- 1H-Azepine, 1-(4-chloro-1,2,5-thiadiazol-3-yl)hexahydro-
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