Cas no 1221188-46-0 (Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate)
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate
- ethyl 5-(trifluoromethyl)-1,3-thiazole-2-carboxylate
- DB-230424
- SCHEMBL3300624
- Ethyl5-(trifluoromethyl)thiazole-2-carboxylate
- 1221188-46-0
- HQRQECGNARLVCZ-UHFFFAOYSA-N
-
- Inchi: 1S/C7H6F3NO2S/c1-2-13-6(12)5-11-3-4(14-5)7(8,9)10/h3H,2H2,1H3
- InChI Key: HQRQECGNARLVCZ-UHFFFAOYSA-N
- SMILES: S1C(C(=O)OCC)=NC=C1C(F)(F)F
Computed Properties
- Exact Mass: 225.00713409g/mol
- Monoisotopic Mass: 225.00713409g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 222
- 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: 2.4
- Topological Polar Surface Area: 67.4?2
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM308155-1g |
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate |
1221188-46-0 | 95% | 1g |
$734 | 2021-08-18 | |
| Chemenu | CM308155-1g |
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate |
1221188-46-0 | 95% | 1g |
$777 | 2022-12-29 |
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
Additional information on Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate (CAS No. 1221188-46-0): A Comprehensive Overview
Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate (CAS No. 1221188-46-0) is a significant compound in the field of pharmaceutical chemistry, known for its versatile applications in drug discovery and development. This compound, characterized by its unique structural and chemical properties, has garnered considerable attention due to its potential in various therapeutic areas.
The molecular structure of Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate consists of a thiazole core substituted with a trifluoromethyl group and a carboxylate ester at the 2-position, linked to an ethyl group. This specific arrangement imparts distinct physicochemical properties, making it a valuable building block for synthesizing novel bioactive molecules. The presence of the trifluoromethyl group enhances lipophilicity and metabolic stability, which are crucial factors in drug design.
In recent years, there has been a surge in research focusing on heterocyclic compounds, particularly thiazole derivatives, due to their broad spectrum of biological activities. Studies have demonstrated that thiazole-based compounds exhibit antimicrobial, anti-inflammatory, anticancer, and antiviral properties. Among these, Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate has shown promise as a lead compound in developing new therapeutic agents.
One of the most compelling aspects of Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate is its role in the synthesis of targeted small molecules for treating complex diseases. Researchers have leveraged its structural framework to develop inhibitors of key enzymes involved in cancer progression. For instance, derivatives of this compound have been investigated for their ability to inhibit kinases and other enzymes that play critical roles in tumor growth and metastasis.
The trifluoromethyl group in the molecule is particularly noteworthy, as it significantly influences the pharmacokinetic profile of the compound. This moiety enhances binding affinity to biological targets and improves resistance to metabolic degradation. Such properties make Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate an attractive candidate for further optimization into potent drug candidates.
Recent advancements in computational chemistry have enabled more efficient screening and design of thiazole derivatives like Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate. Molecular docking studies have identified novel binding pockets on target proteins, providing insights into how these compounds interact at the molecular level. These findings have guided the development of more refined analogs with improved efficacy and reduced side effects.
The pharmaceutical industry has also recognized the potential of Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate in addressing unmet medical needs. Several companies are currently exploring its use in developing treatments for neurological disorders, infectious diseases, and chronic conditions. The compound's ability to modulate multiple biological pathways makes it a versatile tool for drug discovery.
In conclusion, Ethyl 5-(trifluoromethyl)thiazole-2-carboxylate (CAS No. 1221188-46-0) represents a promising candidate in pharmaceutical research due to its unique structural features and broad range of biological activities. Ongoing studies continue to uncover new applications for this compound, reinforcing its importance in the development of next-generation therapeutics.
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