Cas no 1257329-71-7 (4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine)
4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine Chemical and Physical Properties
Names and Identifiers
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- 4-METHYL-5-(TRIFLUOROMETHYL)THIAZOL-2-AMINE
- 4-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-2-AMINE
- AB76205
- Z1983079325
- EN300-199645
- Z1222424685
- 1257329-71-7
- URIRTMPDHCZFSA-UHFFFAOYSA-N
- D76868
- 2-Amino-4-Methyl-5-(Trifluoromethyl)thiazole
- AKOS033714900
- CS-0109528
- SCHEMBL25295015
- 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
-
- MDL: MFCD18909167
- Inchi: 1S/C5H5F3N2S/c1-2-3(5(6,7)8)11-4(9)10-2/h1H3,(H2,9,10)
- InChI Key: URIRTMPDHCZFSA-UHFFFAOYSA-N
- SMILES: S1C(N)=NC(C)=C1C(F)(F)F
Computed Properties
- Exact Mass: 182.01255383g/mol
- Monoisotopic Mass: 182.01255383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- 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
- Topological Polar Surface Area: 67.2
- XLogP3: 1.9
4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B487663-10mg |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 10mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B487663-50mg |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 50mg |
$ 210.00 | 2022-06-07 | ||
| TRC | B487663-100mg |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 100mg |
$ 340.00 | 2022-06-07 | ||
| eNovation Chemicals LLC | Y0998782-5g |
4-methyl-5-(trifluoromethyl)thiazol-2-amine |
1257329-71-7 | 95% | 5g |
$1830 | 2024-08-02 | |
| Enamine | EN300-199645-1g |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 95% | 1g |
$1140.0 | 2023-09-16 | |
| Enamine | EN300-199645-5g |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 95% | 5g |
$4732.0 | 2023-09-16 | |
| Enamine | EN300-199645-10g |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 95% | 10g |
$9237.0 | 2023-09-16 | |
| Chemenu | CM437905-1g |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 95%+ | 1g |
$947 | 2023-01-01 | |
| Enamine | EN300-199645-0.05g |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 95% | 0.05g |
$266.0 | 2023-09-16 | |
| Enamine | EN300-199645-0.1g |
4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine |
1257329-71-7 | 95% | 0.1g |
$396.0 | 2023-09-16 |
4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
Additional information on 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
Professional Introduction to 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine (CAS No: 1257329-71-7)
4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine, with the chemical formula C?H?F?N?S, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry due to its unique structural and functional properties. This compound belongs to the thiazole class, which is well-known for its broad spectrum of biological activities. The presence of a methyl group at the 4-position and a trifluoromethyl group at the 5-position introduces specific electronic and steric effects that make this molecule a promising candidate for drug discovery and development.
The CAS number 1257329-71-7 provides a unique identifier for this compound, ensuring precise classification and reference in scientific literature and databases. Thiazole derivatives, including 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine, have been extensively studied for their potential applications in various therapeutic areas. The structural motif of thiazole is integral to many biologically active molecules, contributing to interactions with biological targets such as enzymes and receptors.
One of the most compelling aspects of 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine is its ability to serve as a versatile scaffold for medicinal chemistry. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the methyl group can influence binding affinity and selectivity. These features make it an attractive building block for designing novel compounds with improved pharmacokinetic profiles.
Recent research in the field of heterocyclic chemistry has highlighted the importance of thiazole derivatives in addressing unmet medical needs. For instance, studies have demonstrated that modifications at the 2-amino position of thiazole can lead to compounds with enhanced bioactivity. The 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine structure provides a foundation for exploring such modifications, potentially leading to the discovery of new therapeutic agents.
The pharmaceutical industry has shown particular interest in thiazole derivatives due to their role in developing drugs for infectious diseases, cancer, and inflammatory conditions. The trifluoromethyl group, in particular, is known to improve binding affinity by increasing hydrophobic interactions with biological targets. This property has been leveraged in the design of kinase inhibitors, which are critical in oncology therapy.
In addition to its pharmacological potential, 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine has been explored in agrochemical applications. Thiazole derivatives are commonly found in pesticides and herbicides due to their ability to disrupt essential biological processes in pests. The structural features of this compound make it a candidate for developing next-generation agrochemicals with improved efficacy and environmental safety.
The synthesis of 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Advanced synthetic methodologies, such as transition metal-catalyzed cross-coupling reactions, have been employed to streamline the process. These techniques not only improve efficiency but also allow for greater flexibility in modifying the molecular structure.
The chemical properties of 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine, including its solubility, stability, and reactivity, have been thoroughly characterized through spectroscopic techniques such as NMR spectroscopy (1H NMR and 13C NMR), mass spectrometry (LCMS), and infrared spectroscopy (IR). These analyses provide valuable insights into its molecular structure and help in understanding its behavior in various chemical environments.
One notable application of 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine is in the development of novel antimicrobial agents. Thiazole derivatives have demonstrated activity against a range of bacterial and fungal pathogens due to their ability to interfere with essential cellular processes such as DNA replication and protein synthesis. The presence of both methyl and trifluoromethyl groups enhances its antimicrobial efficacy by improving membrane permeability and target binding.
The role of computational chemistry in designing and optimizing thiazole-based compounds cannot be overstated. Molecular modeling techniques have been used to predict binding interactions between 4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine and biological targets. These simulations help researchers identify key structural features that contribute to bioactivity, guiding the development of more effective drug candidates.
In conclusion,4-Methyl-5-(trifluoromethyl)-1,3-thiazol-2-aminese (CAS No: 1257329-71-7) represents a fascinating compound with diverse applications in pharmaceuticals and agrochemicals. Its unique structural features make it a valuable scaffold for drug discovery efforts aimed at addressing various diseases. As research continues to uncover new therapeutic possibilities,4-Methyl--(trifluoromethy--l)thi--azol--(2-am--ine)is poised t--o play an increasingly important role i--n developi--ng next-generati--on medicati--ons.
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