Cas no 886497-55-8 (ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate)

Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate is a thiazole-based ester compound with potential applications in pharmaceutical and agrochemical research. Its structure features a substituted thiazole core, which is known for contributing to bioactive properties, including antimicrobial and anti-inflammatory activity. The butan-2-ylamino group enhances lipophilicity, potentially improving membrane permeability, while the 4-methyl and 5-carboxylate substituents offer opportunities for further functionalization. This compound may serve as a versatile intermediate in the synthesis of more complex heterocyclic systems. Its stability under standard conditions and well-defined reactivity profile make it suitable for exploratory studies in medicinal chemistry and material science.
ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate structure
886497-55-8 structure
Product Name:ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate
CAS No:886497-55-8
MF:C11H18N2O2S
MW:242.337821483612
MDL:MFCD06739374
CID:3059882
PubChem ID:19616505
Update Time:2025-06-15

ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2- sec -Butylamino-4-methyl-thiazole-5-carboxylicacid ethyl ester
    • ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate
    • ethyl 2-[(butan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
    • 2-sec-Butylamino-4-methyl-thiazole-5-carboxylic acid ethyl ester
    • AKOS000313021
    • BBL040457
    • ethyl 2-(butan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
    • Ethyl 2-(sec-butylamino)-4-methylthiazole-5-carboxylate
    • 886497-55-8
    • Ethyl 4-methyl-2-[(1-methylpropyl)amino]-5-thiazolecarboxylate
    • STK350493
    • EN300-230421
    • Ethyl 2-(sec-butylimino)-4-methyl-2,3-dihydrothiazole-5-carboxylate
    • ETHYL 4-METHYL-2-(SEC-BUTYLAMINO)-1,3-THIAZOLE-5-CARBOXYLATE
    • DTXSID301178518
    • Ethyl2-(sec-butylamino)-4-methylthiazole-5-carboxylate
    • Ethyl 2-(sec-butylamino)-4-methyl-1,3-thiazole-5-carboxylate
    • CS-0295660
    • MDL: MFCD06739374
    • Inchi: 1S/C11H18N2O2S/c1-5-7(3)12-11-13-8(4)9(16-11)10(14)15-6-2/h7H,5-6H2,1-4H3,(H,12,13)
    • InChI Key: HDOCOQMXSUHAGL-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)OCC)=C(C)N=C1NC(C)CC

Computed Properties

  • Exact Mass: 242.10889899Da
  • Monoisotopic Mass: 242.10889899Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 238
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 79.5?2

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ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate Related Literature

Additional information on ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate

Professional Introduction to Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate (CAS No. 886497-55-8)

Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate, a compound with the chemical identifier CAS No. 886497-55-8, represents a significant advancement in the field of pharmaceutical chemistry. This compound belongs to the thiazole derivatives, a class of molecules known for their diverse biological activities and therapeutic potential. The structural motif of this compound, featuring a thiazole ring fused with an amine and carboxylate functional groups, makes it a promising candidate for further investigation in medicinal chemistry.

The synthesis of Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate involves a multi-step process that requires precise control over reaction conditions and reagent selection. The introduction of the butan-2-ylamino group at the 2-position of the thiazole ring introduces a unique set of electronic and steric properties that can influence the compound's interactions with biological targets. This aspect has been extensively studied in recent years, as modifications in the amine moiety have been shown to enhance binding affinity and selectivity in drug design.

One of the most intriguing aspects of Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate is its potential application in the development of novel therapeutic agents. The thiazole core is a well-documented pharmacophore found in numerous bioactive compounds, including antibiotics, antifungals, and anti-inflammatory agents. Recent studies have highlighted the role of thiazole derivatives in modulating enzyme activity and cellular signaling pathways, making them attractive for treating a wide range of diseases.

The carboxylate group at the 5-position of the thiazole ring provides an additional site for functionalization, allowing for further derivatization to tailor the compound's pharmacological properties. This flexibility has been exploited in several research endeavors aimed at developing more potent and selective inhibitors. For instance, modifications to the carboxylate group have been shown to improve solubility and metabolic stability, crucial factors for drug candidate optimization.

In addition to its structural versatility, Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate has garnered attention for its potential role in addressing emerging challenges in drug discovery. The increasing prevalence of drug-resistant pathogens necessitates the development of new chemical entities with novel mechanisms of action. Thiazole derivatives have emerged as a promising class of compounds due to their ability to interact with bacterial enzymes and cellular processes distinct from conventional antibiotics.

Recent advancements in computational chemistry have further enhanced the understanding of Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate's interactions with biological targets. Molecular docking studies have revealed that this compound can bind to specific pockets on enzymes involved in metabolic pathways relevant to various diseases. These insights have guided the design of more refined analogs with improved pharmacokinetic profiles.

The synthesis and characterization of Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate also involve cutting-edge analytical techniques that ensure high purity and structural integrity. High-resolution mass spectrometry (HRMS), nuclear magnetic resonance (NMR) spectroscopy, and X-ray crystallography are among the tools employed to confirm the compound's identity and assess its quality. These methodologies are essential for meeting regulatory standards and ensuring reproducibility in subsequent studies.

The potential applications of Ethyl 2-(butan-2-yl)amino-4-methyl-1,3-thiazole-5-carboxylate extend beyond traditional pharmaceuticals. Research suggests that this compound may find utility in agrochemicals and industrial applications due to its structural stability and reactivity under various conditions. The ability to modify its functional groups allows for customization according to specific needs, making it a versatile building block for synthetic chemistry.

As our understanding of molecular interactions continues to evolve, Ethyl 2-(butan-2-yalamino)-4-methyl-l,3-thiazole-S-carboxylic acid ethylester is poised to play a pivotal role in next-generation drug development strategies. Its unique structural features and demonstrated biological activity position it as a cornerstone compound for future research endeavors aimed at addressing unmet medical needs.

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