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    Technical details about Denotivir, learn more about the structure, uses, toxicity, action, side effects and more

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    Denotivir

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    2D Structure
    1. Also known as: Wratizolin, 51287-57-1, Itcl, Denotivir [inn], Vratizolin, Polvir
    Molecular Formula
    C18H14ClN3O2S
    Molecular Weight
    371.8  g/mol
    InChI Key
    ZPBLNADJHWHOEP-UHFFFAOYSA-N
    FDA UNII
    W656S9I00W
    Denotivir is an isothiazole derivative of 5-amino-3-methylisothiazolocarboxylic acid I with antiviral activity against human herpes simplex viruse types 1 and 2, and varicella zoster virus.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-benzamido-N-(4-chlorophenyl)-3-methyl-1,2-thiazole-4-carboxamide
    2.1.2 InChI
    InChI=1S/C18H14ClN3O2S/c1-11-15(17(24)20-14-9-7-13(19)8-10-14)18(25-22-11)21-16(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,23)
    2.1.3 InChI Key
    ZPBLNADJHWHOEP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NSC(=C1C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    W656S9I00W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(benzoylamino)-n-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide

    2. Bacpmi

    3. Itcl

    4. Wratizolin

    2.3.2 Depositor-Supplied Synonyms

    1. Wratizolin

    2. 51287-57-1

    3. Itcl

    4. Denotivir [inn]

    5. Vratizolin

    6. Polvir

    7. Vratizolin; Wratizolin

    8. 5-benzamido-n-(4-chlorophenyl)-3-methyl-1,2-thiazole-4-carboxamide

    9. Denotivir (inn)

    10. W656s9i00w

    11. 5-benzamido-4'-chloro-3-methyl-4-isothiazolecarboxanilide

    12. 5-(benzoylamino)-n-(4-chlorophenyl)-3-methyl-4-isothiazolecarboxamide

    13. 5-benzamido-n-(4-chlorophenyl)-3-methylisothiazole-4-carboxamide

    14. Vratizolinum

    15. T-15

    16. Unii-w656s9i00w

    17. P-chlorophenylamide Of 3-methyl-5-benzoylaminoizothiazole-4-carboxylic Acid

    18. Polvir (tn)

    19. 3-methyl-5-benzoylaminoisothiazole-4-carboxylic Acid P-chlorophenylamide

    20. 5-(benzoylamino)-n-(p-chlorophenyl)-3-methyl-4-isothiazolecarboxamide

    21. Denotivir [mart.]

    22. Denotivir [who-dd]

    23. Schembl147338

    24. Chembl2104203

    25. Dtxsid70199278

    26. Zinc608304

    27. Stl450987

    28. 4-isothiazolecarboxamide, 5-(benzoylamino)-n-(p-chlorophenyl)-3-methyl-

    29. Ft-0755612

    30. D07789

    31. Q11693881

    32. N-(4-chlorophenyl)-3-methyl-5-[(phenylcarbonyl)amino]-1,2-thiazole-4-carboxamide

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 371.8 g/mol
    Molecular Formula C18H14ClN3O2S
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass371.0495256 g/mol
    Monoisotopic Mass371.0495256 g/mol
    Topological Polar Surface Area99.3 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity479
    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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