Basic information
- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C1=CNN(N2CCNCC2)S1- InChIKey
DOPOFAWNSZQNHJ-UHFFFAOYSA-N- Molecular formula
- C10H15N7O2S
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.10079392
Names & identifiers
- Preferred name
- 2-[2-(1-Piperazinyl)-5-thiadiazolyl]-1-methyl-5-nitroimidazole
- IUPAC
- 5-(1-methyl-5-nitroimidazol-2-yl)-2-piperazin-1-yl-3H-thiadiazole
Names & synonyms
SCHEMBL11731425DOPOFAWNSZQNHJ-UHFFFAOYSA-N2-[2-(1-Piperazinyl)-5-thiadiazolyl]-1-methyl-5nitroimidazole2-[2-(1-Piperazinyl)-5-thiadiazolyl]-1-methyl-5-nitroimidazole
Database identifiers
- PubChem CID
- 21390830
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Related reactions
3 records
Linked notes
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