2-[2-(4-Methyl-1-piperazinyl)-5-thiadiazolyl)-1-methyl-5-nitroimidazole

HCID 21390838

Basic information

Standard SMILES
CN1CCN(N2NC=C(c3ncc([N+](=O)[O-])n3C)S2)CC1
InChIKey
OLUPFEGGFPSRHB-UHFFFAOYSA-N
Molecular formula
C11H17N7O2S
Average molar mass
311.37 g/mol
Monoisotopic mass
311.11644398

Names & identifiers

Preferred name
2-[2-(4-Methyl-1-piperazinyl)-5-thiadiazolyl)-1-methyl-5-nitroimidazole
IUPAC
5-(1-methyl-5-nitroimidazol-2-yl)-2-(4-methylpiperazin-1-yl)-3H-thiadiazole

Names & synonyms

2-[2-(4-Methyl-1-piperazinyl)-5-thiadiazolyl)-1-methyl-5-nitroimidazole2-[2-(4-Methyl-1-piperazinyl)-5-thiadiazolyl]-1-methyl-5-nitroimidazoleSCHEMBL11723698OLUPFEGGFPSRHB-UHFFFAOYSA-N

Database identifiers

PubChem CID
21390838

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
21

Related reactions

3 records

Linked notes

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