1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-one
CAS No.:
1000932-13-7
M. Wt:
174.24394
M. Fa:
C5H6N2OS2
InChI Key:
-
Appearance:
White Solid
Names and Identifiers of 1000932-13-7
CAS Number |
1000932-13-7 |
|---|---|
IUPAC Name |
1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-one |
Canonical SMILES |
CC(=O)CSC1=NN=CS1 |
Physical and chemical properties of 1000932-13-7
Molecular Formula |
C5H6N2OS2 |
|---|---|
Molecular Weight |
174.24394 |
Applications of 1000932-13-7
1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-one has potential applications in various fields:
- Pharmaceutical Development: Due to its antimicrobial and anticancer properties, it is being explored as a lead compound for drug development.
- Agricultural Chemistry: Compounds with similar structures are investigated for their potential use as fungicides or herbicides.
- Material Science: Thiadiazole derivatives are also studied for their electronic properties in organic semiconductors.
Interaction Studies of 1000932-13-7
Interaction studies involving 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-one often focus on its binding affinity with biological targets:
- Docking Studies: Computational studies reveal how this compound interacts with key proteins involved in cellular processes. For example, docking studies with tubulin suggest that it forms hydrogen bonds and π-cation interactions that may inhibit microtubule polymerization.
- Structure–Activity Relationship Analysis: Investigations into how variations in substituents affect biological activity help in optimizing its efficacy against specific targets.
Biological Activity of 1000932-13-7
Research indicates that 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-one exhibits notable biological activities:
- Antimicrobial Activity: Studies have shown that derivatives of thiadiazoles possess significant antibacterial and antifungal properties. For instance, compounds similar to 1-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-one have demonstrated effectiveness against various microbial strains due to their ability to disrupt cellular processes.
- Anticancer Properties: Thiadiazole derivatives have been investigated for their cytotoxic effects on cancer cell lines. For example, certain derivatives showed promising results in inhibiting the growth of breast and lung cancer cells. The mechanism often involves interaction with tubulin and disruption of microtubule dynamics.
Physical sample testing spectrum (NMR) of 1000932-13-7