CAS 19622-55-0 Megazol (HCID 29698)

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Basic information

CAS: 19622-55-0
Standard SMILES: Cn1c([N+](=O)[O-])cnc1-c1nnc(N)s1
InChIKey: VDZZTXBMKRQEPO-UHFFFAOYSA-N
Molecular formula: C6H6N6O2S
Average molar mass: 226.22 g/mol
Monoisotopic mass: 226.02729463

Names & identifiers

Preferred name: Megazol
IUPAC: 5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-amine
English name: CL 64855
Molecular formula: C6H6N6O2S
Molecular weight: 226.22

Names & synonyms

megazol19622-55-0Nitroimidazole thiadiazole1,3,4-Thiadiazol-2-amine, 5-(1-methyl-5-nitro-1H-imidazol-2-yl)-VQ8UH664ZJNSC-2657261,3,4-Thiadiazole, 2-amino-5-(1-methyl-5-nitroimidazol-2-yl)-CL 64 855CL 64,8552-Amino-5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazoleDTXSID50173298RefChem:156271

Show more names

DTXCID7095789CL 648552-Amino-5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amineNSC2657262-(2-amino-1,3,4-thiadiazol-5-yl)-1-methyl-5-nitroimidazoleCCRIS 2480NSC 265726

Database identifiers

CAS: 19622-55-0
PubChem CID: 29698
DTXSID: DTXSID50173298
ChEMBL: CHEMBL423172
UNII: VQ8UH664ZJ
Nikkaji: J227.654B

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 144 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 268 · 268-270 °C (decomp)
Boiling point: 532.6 · 532.6±42.0 °C(Predicted)
Density: 2 · 2.00±0.1 g/cm3(Predicted)
pka: 0.97 · 0.97±0.10(Predicted)
form: Solid
color: Yellow to brown
FDA UNII: 8 UH664ZJ · VQ8UH664ZJ

Chemistry & industry

Applications

UsesMegazol is an orally active antibacterial agent. Megazol has effective inhibitory against T. b. brueei with an EC50 of 0.01 μg/mL. Megazol can be used for the research of protozoan infections[1].