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    5-Formyl-4-Methylthiazole

    PharmaCompass
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    2D Structure
    Also known as: 82294-70-0, 4-methylthiazole-5-carbaldehyde, 4-methyl-5-thiazolecarboxaldehyde, 4-methyl-1,3-thiazole-5-carbaldehyde, 4-methyl-5-thiazolecarbaldehyde, 5-formyl-4-methylthiazole
    Molecular Formula
    C5H5NOS
    Molecular Weight
    127.17  g/mol
    InChI Key
    JJVIEMFQPALZOZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methyl-1,3-thiazole-5-carbaldehyde
    2.1.2 InChI
    InChI=1S/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
    2.1.3 InChI Key
    JJVIEMFQPALZOZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(SC=N1)C=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 82294-70-0

    2. 4-methylthiazole-5-carbaldehyde

    3. 4-methyl-5-thiazolecarboxaldehyde

    4. 4-methyl-1,3-thiazole-5-carbaldehyde

    5. 4-methyl-5-thiazolecarbaldehyde

    6. 5-formyl-4-methylthiazole

    7. 4-methylthiazole-5-aldehyde

    8. 5-thiazolecarboxaldehyde, 4-methyl-

    9. 4-methyl-thiazole-5-carbaldehyde

    10. Mfcd07368277

    11. 4-methyl-5-thiazolaldehyde

    12. Schembl363540

    13. 4-methylthiazol-5-carboaldehyde

    14. Dtxsid50342386

    15. Albb-006041

    16. Geo-01943

    17. Stk392203

    18. Zinc12959076

    19. Akos000265234

    20. Ac-5584

    21. Bs-3762

    22. Cs-w011148

    23. 4-methylthiazole-5-carboxaldehyde, 97%

    24. 4-methyl-1,3-thiazole-5-carbaldehyde #

    25. Sy021358

    26. Db-028974

    27. Am20100799

    28. Bb 0259236

    29. Ft-0641858

    30. M1812

    31. En300-93121

    32. 94m700

    33. 4-methyl-1,3-thiazole-5-carboxaldehyde

    34. A840295

    35. A864432

    36. Q-100839

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 127.17 g/mol
    Molecular Formula C5H5NOS
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass127.00918496 g/mol
    Monoisotopic Mass127.00918496 g/mol
    Topological Polar Surface Area58.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity96.4
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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