2-(2-Chloro-5-thiadiazolyl)-1-methyl-5-nitroimidazole

HCID 21390801
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Basic information

Standard SMILES
Cn1c([N+](=O)[O-])cnc1C1=CNN(Cl)S1
InChIKey
XAKKAVOLKNKDQV-UHFFFAOYSA-N
Molecular formula
C6H6ClN5O2S
Average molar mass
247.66 g/mol

Names & identifiers

Preferred name
2-(2-Chloro-5-thiadiazolyl)-1-methyl-5-nitroimidazole
IUPAC
2-chloro-5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazole

Names & synonyms

SCHEMBL11728516XAKKAVOLKNKDQV-UHFFFAOYSA-N2-(2-chloro- 5-thiadiazoly)-1-methyl-5-nitroimidazole2-(2-chloro- 5-thiadiazolyl)-1-methyl-5-nitroimidazole2-(2-chloro-5-thiadiazolyl)-1-methyl-5-nitroimidazole

Database identifiers

PubChem CID
21390801

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
15

Related reactions

11 records
New reaction record

Linked notes

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