Basic information
- Standard SMILES
CCCn1c([N+](=O)[O-])cnc1C1=CNN(N)S1- InChIKey
FDPPXPAQLAUFBD-UHFFFAOYSA-N- Molecular formula
- C8H12N6O2S
- Average molar mass
- 256.29 g/mol
- Monoisotopic mass
- 256.07424482
Names & identifiers
- Preferred name
- 2-(2-Amino-5-thiadiazolyl)-1-propyl-5-nitroimidazole
- IUPAC
- 5-(5-nitro-1-propylimidazol-2-yl)-3H-thiadiazol-2-amine
Names & synonyms
SCHEMBL11726166FDPPXPAQLAUFBD-UHFFFAOYSA-N2-(2-amino-5-thiadiazolyl)-1-propyl-5-nitroimidazole
Database identifiers
- PubChem CID
- 21390849
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
1 records
Compound notes
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