Cas no 1185145-74-7 (1,3-Thiazol-4-ylmethylamine hydrobromide)

1,3-Thiazol-4-ylmethylamine hydrobromide is a hydrobromide salt derivative of 1,3-thiazol-4-ylmethylamine, a heterocyclic amine featuring a thiazole core. This compound is of interest in pharmaceutical and agrochemical research due to its structural versatility, enabling its use as a key intermediate in the synthesis of biologically active molecules. The hydrobromide form enhances stability and solubility, facilitating handling and storage. Its well-defined crystalline structure ensures consistent purity, making it suitable for precise synthetic applications. The thiazole moiety imparts potential pharmacological properties, including antimicrobial or antiviral activity, underscoring its utility in drug discovery and development.
1,3-Thiazol-4-ylmethylamine hydrobromide structure
1185145-74-7 structure
Product Name:1,3-Thiazol-4-ylmethylamine hydrobromide
CAS No:1185145-74-7
MF:C4H7BrN2S
MW:195.080778360367
CID:1067135
PubChem ID:46736052
Update Time:2025-08-03

1,3-Thiazol-4-ylmethylamine hydrobromide Chemical and Physical Properties

Names and Identifiers

    • 1,3-Thiazol-4-ylmethylamine hydrobromide
    • 1,3-thiazol-4-ylmethanamine;hydrobromide
    • Thiazol-4-ylmethanamine hydrobromide
    • 1185145-74-7
    • 1-(1,3-THIAZOL-4-YL)METHANAMINE HYDROBROMIDE
    • AKOS015833971
    • MDL: MFCD11506407
    • Inchi: 1S/C4H6N2S.BrH/c5-1-4-2-7-3-6-4;/h2-3H,1,5H2;1H
    • InChI Key: NBHVAPGRVLEUKI-UHFFFAOYSA-N
    • SMILES: Br.S1C=NC(=C1)CN

Computed Properties

  • Exact Mass: 193.95133g/mol
  • Monoisotopic Mass: 193.95133g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 57.7
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 67.2?2

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Additional information on 1,3-Thiazol-4-ylmethylamine hydrobromide

Introduction to 1,3-Thiazol-4-ylmethylamine hydrobromide (CAS No. 1185145-74-7)

1,3-Thiazol-4-ylmethylamine hydrobromide, identified by the Chemical Abstracts Service Number (CAS No.) 1185145-74-7, is a significant compound in the realm of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the thiazole derivatives, a class of heterocyclic compounds known for their diverse biological activities and pharmaceutical applications. The structural motif of thiazole, featuring a sulfur atom and a nitrogen atom in a five-membered ring, imparts unique electronic and steric properties that make it a valuable scaffold for drug discovery and development.

The hydrobromide salt form of 1,3-Thiazol-4-ylmethylamine enhances the compound's solubility and stability, making it more suitable for various chemical reactions and biological assays. The presence of the amine functional group at the 4-position of the thiazole ring further extends its potential utility in medicinal chemistry. This compound has garnered attention due to its structural similarity to known bioactive molecules, suggesting possible applications in the treatment of various diseases.

Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 1,3-Thiazol-4-ylmethylamine hydrobromide and biological targets. Studies have shown that thiazole derivatives can modulate enzyme activity, interact with DNA, and influence cellular signaling pathways. These findings have opened new avenues for exploring the therapeutic potential of 1,3-Thiazol-4-ylmethylamine hydrobromide in conditions such as inflammation, cancer, and infectious diseases.

In the context of drug development, 1,3-Thiazol-4-ylmethylamine hydrobromide has been investigated as a precursor or intermediate in synthesizing more complex pharmacophores. Its ability to serve as a building block allows chemists to design molecules with tailored properties for improved efficacy and reduced toxicity. The compound's versatility is further highlighted by its participation in various synthetic transformations, including nucleophilic substitution reactions, condensation reactions, and metal-catalyzed coupling processes.

One of the most compelling aspects of 1,3-Thiazol-4-ylmethylamine hydrobromide is its potential role in addressing unmet medical needs. Current research focuses on leveraging its structural features to develop novel therapeutic agents. For instance, studies have demonstrated that modifications at the 4-position of the thiazole ring can significantly alter pharmacokinetic profiles and target specificity. This flexibility underscores the importance of 1,3-Thiazol-4-ylmethylamine hydrobromide as a scaffold for structure-based drug design.

The synthesis of 1,3-Thiazol-4-ylmethylamine hydrobromide involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to optimize yield and purity. Techniques such as palladium-catalyzed cross-coupling reactions and transition-metal-mediated transformations have proven particularly effective in constructing the desired thiazole core structure. These synthetic strategies not only enhance efficiency but also provide access to a wide range of derivatives for further investigation.

Evaluation of 1,3-Thiazol-4-ylmethylamine hydrobromide in preclinical models has revealed promising results regarding its biological activity. Initial studies indicate that this compound exhibits inhibitory effects on certain enzymes implicated in disease pathogenesis. For example, it has shown potential in suppressing kinases involved in cancer progression or modulating inflammatory pathways associated with autoimmune disorders. Such findings warrant further exploration into its mechanisms of action and therapeutic applications.

The role of computational tools in analyzing the pharmacological properties of 1,3-Thiazol-4-ylmethylamine hydrobromide cannot be overstated. High-throughput virtual screening (HTVS) has enabled rapid identification of lead compounds based on their predicted binding affinities to biological targets. Molecular dynamics simulations have provided insights into how this compound interacts with proteins at an atomic level, aiding in rational drug design. These computational approaches complement traditional experimental methods and accelerate the discovery process.

Future directions for research on 1,3-Thiazol-4-ylmethylamine hydrobromide include exploring its potential as an antiviral agent or antimicrobial agent. The thiazole scaffold is known to exhibit broad-spectrum activity against various pathogens due to its ability to disrupt essential cellular processes. By fine-tuning its structure through medicinal chemistry interventions, scientists aim to develop derivatives with enhanced potency and selectivity for specific therapeutic uses.

The industrial significance of 1,3-Thiazol-4-ylmethylamine hydrobromide is also noteworthy. Its synthesis on an industrial scale requires robust process optimization to ensure cost-effectiveness and sustainability. Green chemistry principles have been increasingly adopted in developing environmentally friendly synthetic routes that minimize waste generation and energy consumption. Such efforts align with global initiatives aimed at promoting sustainable pharmaceutical manufacturing practices.

In conclusion,1,3-Thiazol-4-ylmethylamine hydrobromide (CAS No. 1185145-74-7) represents a promising compound with diverse applications in pharmaceutical research and drug development。 Its unique structural features, coupled with recent advances in synthetic methodologies, make it an attractive candidate for further exploration。 As scientific understanding continues to evolve, this compound is poised to play a significant role in addressing critical medical challenges worldwide。

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