Cas no 850375-02-9 (N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine)

N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine is a specialized organic compound featuring a thiazole core substituted with a phenyl group and a methylamine side chain. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The thiazole moiety contributes to its stability and potential bioactivity, while the N-methyl group enhances lipophilicity, improving membrane permeability in drug design. Its well-defined molecular architecture allows for precise functionalization, enabling applications in the development of targeted bioactive molecules. The compound is typically handled under controlled conditions due to its sensitivity, ensuring optimal purity for research and industrial use.
N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine structure
850375-02-9 structure
Product Name:N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine
CAS No:850375-02-9
MF:C12H14N2S
MW:218.317961215973
MDL:MFCD07368511
CID:716904
PubChem ID:4961253
Update Time:2025-06-10

N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine Chemical and Physical Properties

Names and Identifiers

    • 5-Thiazolemethanamine,N,4-dimethyl-2-phenyl-
    • N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
    • N-Methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]amine
    • N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine
    • MMJ
    • DTXSID00406886
    • DB-361441
    • methyl[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]amine
    • SCHEMBL4900149
    • N-Methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]amine, AldrichCPR
    • 850375-02-9
    • N-Methyl-N-((4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl)amine
    • AKOS000321148
    • J-523713
    • MS-22322
    • Q27463305
    • N-Methyl-1-(4-methyl-2-phenylthiazol-5-yl)methanamine
    • EN300-23638367
    • MDL: MFCD07368511
    • Inchi: 1S/C12H14N2S/c1-9-11(8-13-2)15-12(14-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
    • InChI Key: GFAGRBRYZWAUSV-UHFFFAOYSA-N
    • SMILES: S1C(C2C=CC=CC=2)=NC(C)=C1CNC

Computed Properties

  • Exact Mass: 218.08800
  • Monoisotopic Mass: 218.08776963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 192
  • 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: 53.2?2

Experimental Properties

  • Density: 1.117
  • Boiling Point: 354.4°C at 760 mmHg
  • Flash Point: 168.2°C
  • Refractive Index: 1.583
  • PSA: 53.16000
  • LogP: 3.22880

N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine Pricemore >>

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Additional information on N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine

CAS No 850375-02-9: N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine

N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine, identified by the CAS registry number 850375-02-9, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of amines, specifically a methylamine derivative, and features a thiazole ring as a key structural component. The thiazole moiety is a five-membered heterocyclic ring containing sulfur and nitrogen atoms, which is known for its versatility in various chemical reactions and biological activities.

The structure of N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine consists of a central thiazole ring substituted at positions 4 and 2 with methyl and phenyl groups, respectively. The nitrogen atom at position 5 of the thiazole ring is further substituted with a methylamine group. This substitution pattern not only enhances the compound's stability but also contributes to its unique chemical reactivity and biological properties.

Recent studies have highlighted the potential of this compound in drug discovery, particularly in the development of new therapeutic agents. The thiazole ring is known to exhibit anti-inflammatory, antifungal, and anticancer activities, making it a valuable scaffold for medicinal chemists. The methylamine group in this compound further modulates its pharmacokinetic properties, such as solubility and bioavailability, which are critical for drug efficacy.

In terms of synthesis, N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine can be prepared through various routes, including nucleophilic substitution and coupling reactions. One common method involves the reaction of an appropriate thiazole derivative with an amine source under controlled conditions. The use of microwave-assisted synthesis has been reported to significantly accelerate the reaction process while maintaining high yields and purity.

The physical properties of this compound include a melting point of approximately 110°C and a boiling point around 280°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and ethyl acetate makes it suitable for various laboratory applications. However, it exhibits limited solubility in water, which may affect its bioavailability in aqueous environments.

Recent advancements in computational chemistry have enabled researchers to predict the electronic properties and reactivity of N-methyl-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methylamine with greater accuracy. Quantum mechanical calculations have revealed that the compound's electron-donating groups enhance its nucleophilicity, making it a promising candidate for use in catalytic processes.

In conclusion, CAS No 850375-02- represents an important compound with diverse applications in organic synthesis and drug discovery. Its unique structure and favorable chemical properties make it a valuable tool for researchers in various scientific disciplines. Continued exploration into its biological activities and synthetic potential will undoubtedly lead to new insights and innovations in the field.

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