Cas no 62435-94-3 (5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl)-)

5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl)- is a brominated thiazole derivative characterized by its tert-butyl carboxamide functional group. This compound is of interest in organic synthesis and pharmaceutical research due to its reactive bromine substituent, which facilitates further functionalization via cross-coupling or nucleophilic substitution reactions. The tert-butyl group enhances steric hindrance, potentially improving stability and selectivity in synthetic applications. Its thiazole core is a common pharmacophore, making it a valuable intermediate for developing biologically active molecules, including kinase inhibitors or antimicrobial agents. The compound's well-defined structure and reactivity profile make it suitable for precision chemical modifications in medicinal chemistry and material science applications.
5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl)- structure
62435-94-3 structure
Product Name:5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl)-
CAS No:62435-94-3
MF:C8H11BrN2OS
MW:263.154739618301
CID:444886
PubChem ID:20328547
Update Time:2025-06-07

5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl)-
    • 2-bromo-N-tert-butyl-1,3-thiazole-5-carboxamide
    • IBABWDWVSUBAFE-UHFFFAOYSA-N
    • 2-Bromo-N-(tert-butyl)thiazole-5-carboxamide
    • 62435-94-3
    • DTXSID40605513
    • 2-bromo-N-tert-butylthiazole-5-carboxamide
    • SCHEMBL1403769
    • 2-Bromo-N-tert-butyl-5-thiazolecarboxamide
    • Inchi: 1S/C8H11BrN2OS/c1-8(2,3)11-6(12)5-4-10-7(9)13-5/h4H,1-3H3,(H,11,12)
    • InChI Key: IBABWDWVSUBAFE-UHFFFAOYSA-N
    • SMILES: BrC1=NC=C(C(NC(C)(C)C)=O)S1

Computed Properties

  • Exact Mass: 261.97763
  • Monoisotopic Mass: 261.97755g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 205
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 70.2?2

Experimental Properties

  • PSA: 41.99

5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1595737-1g
2-Bromo-N-(tert-butyl)thiazole-5-carboxamide
62435-94-3 98%
1g
¥4648.00 2024-05-06

Additional information on 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl)-

Introduction to 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl) (CAS No. 62435-94-3)

5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl), with the CAS number 62435-94-3, is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique thiazole ring structure and the presence of a bromine substituent and a tert-butyl amide group, which contribute to its diverse chemical properties and potential biological activities.

The thiazole ring, a five-membered heterocyclic compound containing sulfur and nitrogen atoms, is a common structural motif in many biologically active molecules. The presence of this ring in 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl) imparts it with enhanced stability and reactivity, making it an attractive scaffold for the design of novel therapeutic agents. The bromine substituent at the 2-position of the thiazole ring further enhances the compound's electrophilic character, which can be exploited in various synthetic transformations and biological interactions.

The tert-butyl amide group in 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl) provides additional steric hindrance and hydrophobicity, which can influence the compound's solubility and bioavailability. These properties are crucial for optimizing the pharmacokinetic profile of potential drug candidates. Recent studies have shown that compounds with similar structural features exhibit promising activities in various therapeutic areas, including anti-inflammatory, antimicrobial, and anticancer applications.

In the realm of medicinal chemistry, 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl) has been investigated for its potential as a lead compound in drug discovery programs. One notable area of research is its use as an inhibitor of specific enzymes involved in disease pathways. For instance, thiazole derivatives have been shown to inhibit kinases and proteases, which are key targets in cancer therapy. The bromine substituent in this compound can facilitate interactions with specific amino acid residues in enzyme active sites, thereby enhancing its inhibitory activity.

Beyond its potential as a therapeutic agent, 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl) has also been explored for its utility as a synthetic intermediate. The presence of the bromine atom makes it an excellent leaving group for various nucleophilic substitution reactions, allowing for the facile introduction of diverse functional groups. This versatility has led to its use in the synthesis of complex organic molecules and natural products.

In terms of safety and handling, it is important to note that while 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl) is not classified as a hazardous material or controlled substance, standard laboratory safety protocols should be followed when working with this compound. Proper personal protective equipment (PPE) such as gloves and goggles should be worn to prevent skin contact and inhalation. Additionally, the compound should be stored in a cool, dry place away from incompatible materials.

The synthesis of 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl) typically involves multistep procedures that include the formation of the thiazole ring followed by functional group modifications. One common approach involves the condensation of a thioamide with an appropriate aldehyde or ketone to form the thiazole ring. Subsequent bromination and amidation steps can then be used to introduce the desired substituents. Recent advancements in green chemistry have led to more environmentally friendly synthetic methods that minimize waste and reduce energy consumption.

In conclusion, 5-Thiazolecarboxamide, 2-bromo-N-(1,1-dimethylethyl) (CAS No. 62435-94-3) is a multifaceted compound with significant potential in both medicinal chemistry and synthetic organic chemistry. Its unique structural features make it an attractive candidate for further research and development as a therapeutic agent or synthetic intermediate. As ongoing studies continue to uncover new applications for this compound, it is likely to play an increasingly important role in advancing our understanding of chemical biology and drug discovery.

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