Cas no 885280-17-1 ((2-(4-Fluorophenyl)thiazol-4-yl)methanamine)

(2-(4-Fluorophenyl)thiazol-4-yl)methanamine is a fluorinated thiazole derivative with a primary amine functional group, making it a versatile intermediate in pharmaceutical and agrochemical synthesis. Its structure combines a 4-fluorophenyl moiety with a thiazole core, offering potential for bioactivity modulation in drug discovery. The compound’s amine group allows for further derivatization, enabling the development of targeted molecules with enhanced binding affinity or selectivity. Its fluorinated aromatic system may contribute to improved metabolic stability and lipophilicity, beneficial in optimizing pharmacokinetic properties. This scaffold is particularly valuable in medicinal chemistry for designing kinase inhibitors, antimicrobial agents, or CNS-targeted compounds. High-purity grades ensure reliable performance in research and industrial applications.
(2-(4-Fluorophenyl)thiazol-4-yl)methanamine structure
885280-17-1 structure
Product Name:(2-(4-Fluorophenyl)thiazol-4-yl)methanamine
CAS No:885280-17-1
MF:C10H9FN2S
MW:208.255264043808
MDL:MFCD06738412
CID:711737
Update Time:2026-04-29

(2-(4-Fluorophenyl)thiazol-4-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • (2-(4-Fluorophenyl)thiazol-4-yl)methanamine
    • [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanamine
    • [2-(4-FLUOROPHENYL)THIAZOL-4-YL]METHYLAMINE
    • 2-(4-Fluorophenyl)-4-thiazolemethanamine
    • 4-Thiazolemethanamine,2-(4-fluorophenyl)-
    • C-[2-(4-FLUORO-PHENYL)-THIAZOL-4-YL]-METHYLAMINE
    • MDL: MFCD06738412
    • Inchi: InChI=1S/C10H9FN2S/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10/h1-4,6H,5,12H2
    • InChI Key: KXBYBKPFGPHRKC-UHFFFAOYSA-N
    • SMILES: C1=C(C=CC(=C1)F)C2=NC(=CS2)CN

Computed Properties

  • Exact Mass: 208.04700
  • Monoisotopic Mass: 208.047
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 183
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6
  • Topological Polar Surface Area: 67.2A^2

Experimental Properties

  • PSA: 67.15000
  • LogP: 3.10820

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Additional information on (2-(4-Fluorophenyl)thiazol-4-yl)methanamine

Chemical Profile of (2-(4-Fluorophenyl)thiazol-4-yl)methanamine (CAS No. 885280-17-1)

(2-(4-Fluorophenyl)thiazol-4-yl)methanamine, identified by its CAS number 885280-17-1, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the thiazole derivatives, a class of molecules known for their diverse biological activities and potential therapeutic applications.

The structural framework of (2-(4-Fluorophenyl)thiazol-4-yl)methanamine consists of a thiazole ring fused with a benzene ring substituted with a fluorine atom at the para position. The presence of the thiazole moiety and the fluorine substituent introduces unique electronic and steric properties, making this compound a promising candidate for further investigation in drug discovery.

In recent years, there has been a growing interest in thiazole-based compounds due to their broad spectrum of biological activities. Thiazole derivatives have been reported to exhibit antimicrobial, anti-inflammatory, anticancer, and antiviral properties. The fluorine atom in the benzene ring of (2-(4-Fluorophenyl)thiazol-4-yl)methanamine enhances its lipophilicity and metabolic stability, which are crucial factors for drug efficacy and bioavailability.

Recent studies have highlighted the potential of (2-(4-Fluorophenyl)thiazol-4-yl)methanamine as a scaffold for developing novel therapeutic agents. For instance, researchers have explored its activity against various enzymatic targets, including kinases and proteases, which are key players in numerous disease pathways. The thiazole ring provides a suitable platform for hydrogen bonding interactions with biological targets, while the fluorine substituent enhances binding affinity.

The synthesis of (2-(4-Fluorophenyl)thiazol-4-yl)methanamine involves multi-step organic reactions, typically starting from commercially available precursors such as 4-fluorobenzaldehyde and thioamides. The introduction of the thiazole ring is often achieved through cyclization reactions, while the methanamine functional group is incorporated via nucleophilic substitution or reductive amination techniques. The precise control of reaction conditions is essential to obtain high yields and purity.

One of the most compelling aspects of (2-(4-Fluorophenyl)thiazol-4-yl)methanamine is its potential as a lead compound for drug development. Its unique structural features make it suitable for designing molecules with enhanced pharmacokinetic properties. Additionally, computational studies have suggested that this compound may interact with biological targets in ways that could lead to novel therapeutic effects.

The pharmaceutical industry has shown particular interest in fluorinated thiazole derivatives due to their improved pharmacological profiles. Fluorine atoms can modulate the electronic properties of molecules, influencing their binding affinity and metabolic stability. This has led to the development of several fluorinated drugs that have been successfully marketed worldwide.

In conclusion, (2-(4-Fluorophenyl)thiazol-4-yl)methanamine (CAS No. 885280-17-1) represents a promising compound in the realm of pharmaceutical chemistry. Its unique structural features and potential biological activities make it an attractive candidate for further research and development. As our understanding of molecular interactions continues to evolve, compounds like this one are likely to play a significant role in the discovery of new therapeutic agents.

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