Cas no 199599-68-3 (2-(dimethylamino)methyl-1,3-thiazole-4-carbaldehyde)

2-(Dimethylamino)methyl-1,3-thiazole-4-carbaldehyde is a versatile heterocyclic aldehyde with a thiazole core, functionalized with a dimethylaminomethyl group at the 2-position and a formyl group at the 4-position. This compound is valuable in organic synthesis, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry due to its reactive aldehyde moiety and electron-rich thiazole ring. The dimethylaminomethyl substituent enhances solubility in polar solvents and may facilitate further derivatization. Its structural features make it suitable for constructing complex molecules, including ligands for metal catalysis or bioactive intermediates. The compound’s stability and well-defined reactivity profile contribute to its utility in research and industrial applications.
2-(dimethylamino)methyl-1,3-thiazole-4-carbaldehyde structure
199599-68-3 structure
Product Name:2-(dimethylamino)methyl-1,3-thiazole-4-carbaldehyde
CAS No:199599-68-3
MF:C7H10N2OS
MW:170.232100009918
MDL:MFCD14622122
CID:1390861
PubChem ID:22611684
Update Time:2025-05-27

2-(dimethylamino)methyl-1,3-thiazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxaldehyde, 2-[(dimethylamino)methyl]-
    • 2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde
    • 2-(dimethylamino)methyl-1,3-thiazole-4-carbaldehyde
    • 2-((dimethylamino)methyl)thiazole-4-carbaldehyde
    • DB-104068
    • EN300-257246
    • AT15258
    • SCHEMBL5778309
    • Z802847110
    • 199599-68-3
    • 2-dimethylaminomethylthiazole-4-carboxaldehyde
    • YIKRYWHYPPRTPL-UHFFFAOYSA-N
    • AKOS010562116
    • DTXSID50626916
    • MDL: MFCD14622122
    • Inchi: 1S/C7H10N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h4-5H,3H2,1-2H3
    • InChI Key: YIKRYWHYPPRTPL-UHFFFAOYSA-N
    • SMILES: S1C=C(C=O)N=C1CN(C)C

Computed Properties

  • Exact Mass: 170.0515
  • Monoisotopic Mass: 170.05138412g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 140
  • 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: 0.6
  • Topological Polar Surface Area: 61.4?2

Experimental Properties

  • PSA: 33.2

2-(dimethylamino)methyl-1,3-thiazole-4-carbaldehyde Pricemore >>

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