CAS 1357147-44-4: 1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate

Description: 1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate is a chemical compound characterized by its complex structure, which includes a hexahydro-1H-1,4-diazepine ring and a thiadiazole moiety. The presence of the 5-bromo substituent on the thiadiazole enhances its reactivity and potential biological activity. This compound features a carboxylate functional group, which can influence its solubility and interaction with biological systems. The dimethyl group contributes to steric hindrance, potentially affecting the compound's conformation and reactivity. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both nitrogen and sulfur atoms, which are often involved in biological interactions. The compound's properties, such as solubility, stability, and reactivity, would be influenced by its specific functional groups and overall molecular geometry. Further studies would be necessary to fully elucidate its chemical behavior and potential applications.

Formula: C₁₂H₁₉BrN₄O₂S

InChI: InChI=1S/C12H19BrN4O2S/c1-12(2,3)19-11(18)17-6-4-5-16(7-8-17)10-15-14-9(13)20-10/h4-8H2,1-3H3

InChI key: InChIKey=LQQIYEAWAGAREX-UHFFFAOYSA-N

SMILES: O=C(OC(C)(C)C)N1CCN(C2=NN=C(Br)S2)CCC1

Synonyms:

• 1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate
• 1H-1,4-Diazepine-1-carboxylic acid, 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-, 1,1-dimethylethyl ester

tert-Butyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)homopiperazine-1-carboxylate

CAS: 1357147-44-4

• Color and Shape: Solid
• Molecular weight: 363.27g/mol

Tert-butyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxylate

CAS: 1357147-44-4

• Purity: 98%
• Molecular weight: 363.2699890136719

tert-Butyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxylate

CAS: 1357147-44-4

Versatile small molecule scaffold

• Formula: C₁₂H₁₉BrN₄O₂S
• Purity: Min. 95%
• Molecular weight: 363.28 g/mol