structure of 5-(chloromethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-(chloromethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

CAS No.: 1000932-24-0
M. Wt: 281.76
M. Fa: C12H12ClN3OS
InChI Key: -

Names and Identifiers of 1000932-24-0

CAS Number

1000932-24-0

IUPAC Name

5-(chloromethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Canonical SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CCl

Physical and chemical properties of 1000932-24-0

Molecular Formula

C12H12ClN3OS

Molecular Weight

281.76

Safety Information of 1000932-24-0

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000932-24-0

5-(Chloromethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide has potential applications in:

  • Medicinal Chemistry: Due to its anticancer properties, it is being explored as a lead compound for developing new therapeutic agents.
  • Pharmaceutical Research: Its unique structure makes it suitable for further modification to enhance biological activity or reduce toxicity.
  • Chemical Biology: It can be used as a tool compound in proteomics and other biological assays to study cellular mechanisms.

Interaction Studies of 1000932-24-0

Interaction studies involving 5-(chloromethyl)-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide have shown promising results in binding assays with various proteins implicated in cancer pathways. Docking studies suggest that this compound may interact with tubulin and other cellular targets, leading to apoptosis in cancer cells. These findings highlight its potential as a therapeutic agent against malignancies.

Biological Activity of 1000932-24-0

Research indicates that compounds containing the thiadiazole moiety exhibit significant biological activities, particularly in anticancer research. Studies have shown that derivatives of 1,3,4-thiadiazoles demonstrate cytotoxic properties against various cancer cell lines, including human colon cancer (HCT116), lung cancer (H460), and breast cancer (MCF-7) cells. The structure-activity relationship suggests that substituents on the thiadiazole ring play a crucial role in enhancing their anticancer efficacy.