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    Chemistry

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    Also known as: 32955-21-8, Ethyl 2-amino-1,3-thiazole-5-carboxylate, Ethyl 2-amino-thiazole-5-carboxylate, 2-aminothiazole-5-carboxylic acid ethyl ester, Ethyl2-aminothiazole-5-carboxylate, 2-amino-thiazole-5-carboxylic acid ethyl ester
    Molecular Formula
    C6H8N2O2S
    Molecular Weight
    172.21  g/mol
    InChI Key
    VNZXERIGKZNEKB-UHFFFAOYSA-N
    CAS 32955-21-8
    1 2D Structure

    CAS 32955-21-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-amino-1,3-thiazole-5-carboxylate
    2.1.2 InChI
    InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
    2.1.3 InChI Key
    VNZXERIGKZNEKB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CN=C(S1)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 32955-21-8

    2. Ethyl 2-amino-1,3-thiazole-5-carboxylate

    3. Ethyl 2-amino-thiazole-5-carboxylate

    4. 2-aminothiazole-5-carboxylic Acid Ethyl Ester

    5. Ethyl2-aminothiazole-5-carboxylate

    6. 2-amino-thiazole-5-carboxylic Acid Ethyl Ester

    7. Mfcd00602139

    8. 5-thiazolecarboxylic Acid, 2-amino-, Ethyl Ester

    9. 2-amino-5-thiazolecarboxylic Acid Ethyl Ester

    10. Nsc233051

    11. Oprea1_514496

    12. Schembl222203

    13. Ethyl 2-aminothiazole-5-formate

    14. Dtxsid30310861

    15. Vnzxerigkznekb-uhfffaoysa-n

    16. 2-amino-5-(ethoxycarbonyl)thiazole

    17. Cs-d0703

    18. Ethyl 2-amino-5-thiazolecarboxylate

    19. Ethyl 2-aminothiazole-5-carboxilate

    20. Bbl100130

    21. Geo-01317

    22. Stk377490

    23. Ethyl-2-amino Thiazole-5-carboxylate

    24. Ethyl-2-amino-thiazole-5-carboxylate

    25. Akos005070045

    26. Akos015995568

    27. Ac-2728

    28. Nsc-233051

    29. Pb24672

    30. 2-aminothiazole-5-carboxylate Ethyl Ester

    31. Hy-50301

    32. Sy002708

    33. Ethyl 2-aminothiazole-5-carboxylate, 97%

    34. A5889

    35. Am20090492

    36. E0907

    37. Ft-0630042

    38. En300-52389

    39. A25920

    40. A26945

    41. 2-amino Thiazole-5-carboxylic Acid Ethyl Ester

    42. 2z-0725

    43. F2158-0251

    44. Z744606094

    45. 2-amino-thiazole-5-carboxylic Acid Ethyl Ester;2-amino-thiazole-5-carboxylate Ethyl Ester

    46. Thiazole,2-amino-5-carboxylic Acid Ethyl Ester;ethyl-2-aminothiazole-5-carbonylate

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 172.21 g/mol
    Molecular Formula C6H8N2O2S
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area93.4
    Heavy Atom Count11
    Formal Charge0
    Complexity154
    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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