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
- Formal charge
- 0
- Complexity
- 435
Related reactions
3 records
Linked notes
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