Basic information
- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C1=CNN(N2CCN(c3nccs3)CC2)S1- InChIKey
VOGVRJKSDBERJA-UHFFFAOYSA-N- Molecular formula
- C13H16N8O2S2
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- 2-{2-[4-(2-Thiazolyl)-1-piperazinyl]-5-thiadiazolyl]-1-methyl-5-nitroimidazole
- IUPAC
- 5-(1-methyl-5-nitroimidazol-2-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3H-thiadiazole
Names & synonyms
2-{2-[4-(2-Thiazolyl)-1-piperazinyl]-5-thiadiazolyl]-1-methyl-5-nitroimidazole2-{2-[4-(2-Thiazolyl)-1-piperazinyl]-5-thiadiazolyl}-1-methyl-5-nitroimidazoleSCHEMBL11732251VOGVRJKSDBERJA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21390853
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 539
Related reactions
3 records
Linked notes
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