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    CAS 105355-26-8

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 105355-26-8, 2-amino-5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-4(5h)-thiazolone, 2-amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazol-4-one, 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone, 2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one, 2-amino-5-(4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl)-4(5h)-thiazolone
    Molecular Formula
    C19H21N3O2S
    Molecular Weight
    355.5  g/mol
    InChI Key
    ABGJULHDDNEULW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one
    2.1.2 InChI
    InChI=1S/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23)
    2.1.3 InChI Key
    ABGJULHDDNEULW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)N=C(S3)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 105355-26-8

    2. 2-amino-5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-4(5h)-thiazolone

    3. 2-amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazol-4-one

    4. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone

    5. 2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one

    6. 2-amino-5-(4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl)-4(5h)-thiazolone

    7. 2-amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-4(5h)-thiazolone

    8. 5-{4-[5-(ethylpyridin-2-yl)ethoxy]benzyl}-2-iminothiazolidin-4-one

    9. 2-amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl-thiazol-4-one

    10. 2-amino-5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl)-thiazol-4-one

    11. 2-amino-5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl]-thiazol-4-one

    12. 5-(4-(2-(5-ethyl-2-pyridyl)ethoxy)benzyl)-2-imino-4-thiazolidinone

    13. Schembl2944577

    14. Dtxsid00465271

    15. Act04247

    16. Bcp11196

    17. (5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidone)

    18. Mfcd07368627

    19. Akos015900316

    20. Ac-3452

    21. As-35039

    22. Db-020456

    23. 355a268

    24. 355e268

    25. A914833

    26. Q-102820

    27. 2-amino-5-(4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl)thiazol-4-one

    28. 5-{4-2-(5-ethyl-2-pyridyl)ethoxybenzyl}-2-imino-4-thiazolidinone

    29. 2-amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]thiazol-4(5h)-one

    30. 2-amino-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy] Benzyl}thiazol-4-one

    31. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-iminothiazolidine-4-one

    32. 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2- Imino-4-thiazolidinone

    33. 2-amino-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-4(5h)-thiazolone

    34. 2-amino-5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazol-4(5h)-one

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 355.5 g/mol
    Molecular Formula C19H21N3O2S
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass355.13544809 g/mol
    Monoisotopic Mass355.13544809 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity477
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1