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    Technical details about CAS 78441-69-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 78441-69-7

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    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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    2D Structure
    1. Also known as: 78441-69-7, {2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methanol, 6k6qkg6aln, 2-(dimethylaminomethyl)-4-thiazolemethanol, [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol, 2-dimethylaminomethyl-4-thiazolemethanol
    Molecular Formula
    C7H12N2OS
    Molecular Weight
    172.25  g/mol
    InChI Key
    BIEFSXASVIQOOS-UHFFFAOYSA-N
    FDA UNII
    6K6QKG6ALN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol
    2.1.2 InChI
    InChI=1S/C7H12N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10H,3-4H2,1-2H3
    2.1.3 InChI Key
    BIEFSXASVIQOOS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CC1=NC(=CS1)CO
    2.2 Other Identifiers
    2.2.1 UNII
    6K6QKG6ALN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 78441-69-7

    2. {2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methanol

    3. 6k6qkg6aln

    4. 2-(dimethylaminomethyl)-4-thiazolemethanol

    5. [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol

    6. 2-dimethylaminomethyl-4-thiazolemethanol

    7. 2-dimethylaminomethyl-4-hydroxymethylthiazole

    8. 2-[(dimethylamino)methyl]-4-thiazolemethanol

    9. Unii-6k6qkg6aln

    10. Nizatidine Impurity J [ep]

    11. 2-((dimethylamino)methyl)-4-thiazolemethanol

    12. 4-thiazolemethanol, 2-((dimethylamino)methyl)-

    13. 4-thiazolemethanol, 2-[(dimethylamino)methyl]-

    14. (2-[(dimethylamino)methyl]-1,3-thiazol-4-yl)methanol

    15. Nizatidine Ep Impurity J

    16. Schembl4339516

    17. Dtxsid30365356

    18. Bbl033678

    19. Mfcd06407647

    20. Stk501501

    21. Akos000302713

    22. Ac-20415

    23. Vs-12214

    24. Nizatidine Impurity J [ep Impurity]

    25. 2-(dimethylaminomethyl) -4-thiazolemethanol

    26. 2-(dimethylaminomethyl)-4-thiazole Methanol

    27. 2-dimethylaminomethyl-4-hydroxvmethylthiazole

    28. Cs-0119845

    29. Ft-0641677

    30. (2-dimethylaminomethyl-thiazol-4-yl)-methanol

    31. En300-36208

    32. A839422

    33. 2-(dimethylaminomethyl)-4-thiazolemethanol, Aldrichcpr

    34. Z362770690

    35. Inchi=1/c7h12n2os/c1-9(2)3-7-8-6(4-10)5-11-7/h5,10h,3-4h2,1-2h

    36. 2-[(n,n-dimethylamino)methyl]-4-(hydroxymethyl) Thiazole; 2-[(dimethylamino)methyl]-4-thiazolemethanol

    2.4 Create Date
    2005-07-13
    3 Chemical and Physical Properties
    Molecular Weight 172.25 g/mol
    Molecular Formula C7H12N2OS
    XLogP30
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area64.6
    Heavy Atom Count11
    Formal Charge0
    Complexity121
    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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