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

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2D Structure
1. Also known as: Nitroimidazole thiadiazole, 19622-55-0, Cl 64855, 2-amino-5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole, 1,3,4-thiadiazol-2-amine, 5-(1-methyl-5-nitro-1h-imidazol-2-yl)-, Nsc265726
Molecular Formula
C6H6N6O2S
Molecular Weight
226.22  g/mol
InChI Key
VDZZTXBMKRQEPO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-amine
2.1.2 InChI
InChI=1S/C6H6N6O2S/c1-11-3(12(13)14)2-8-4(11)5-9-10-6(7)15-5/h2H,1H3,(H2,7,10)
2.1.3 InChI Key
VDZZTXBMKRQEPO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C(=CN=C1C2=NN=C(S2)N)[N+](=O)[O-]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 2-amino-5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4- Thiadiazole

2. Cl 64 855

3. Cl 64,855

4. Cl 64855

2.2.2 Depositor-Supplied Synonyms

1. Nitroimidazole Thiadiazole

2. 19622-55-0

3. Cl 64855

4. 2-amino-5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole

5. 1,3,4-thiadiazol-2-amine, 5-(1-methyl-5-nitro-1h-imidazol-2-yl)-

6. Nsc265726

7. 2-amino-5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole

8. Ccris 2480

9. Nsc 265726

10. Brn 0619299

11. 5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-amine

12. Cl 64 855

13. Cl 64,855

14. 1,3,4-thiadiazole, 2-amino-5-(1-methyl-5-nitroimidazol-2-yl)-

15. Unii-vq8uh664zj

16. Vq8uh664zj

17. Chembl423172

18. Schembl11696315

19. Dtxsid50173298

20. Zinc17061909

21. Nsc-265726

22. Cl-64855

23. Nci60_002137

24. Hy-119480

25. Cs-0068483

26. Q3304399

27. 1,4-thiadiazole, 2-amino-5-(1-methyl-5-nitroimidazol-2-yl)-

28. 2-(2-amino-1,3,4-thiadiazol-5-yl)-1-methyl-5-nitroimidazole

29. 5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-amine

30. 1,4-thiadiazol-2-amine, 5-(1-methyl-5-nitro-1h-imidazol-2-yl)-

31. 5-(1-methyl-5-nitro-1h-imidazol-2-yl)-1,3,4-thiadiazol-2-amine

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 226.22 g/mol
Molecular Formula C6H6N6O2S
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass226.02729463 g/mol
Monoisotopic Mass226.02729463 g/mol
Topological Polar Surface Area144 Ų
Heavy Atom Count15
Formal Charge0
Complexity261
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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