Basic information
- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C1=CNN(NCCO)S1- InChIKey
YXMCTOPANRDMKQ-UHFFFAOYSA-N- Molecular formula
- C8H12N6O3S
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.06915944
Names & identifiers
- Preferred name
- 2-[2-(Hydroxyethylamino)-5-thiadiazolyl]-1-methyl-5-nitroimidazole
- IUPAC
- 2-[[5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-yl]amino]ethanol
Names & synonyms
SCHEMBL11726713YXMCTOPANRDMKQ-UHFFFAOYSA-N2-[2-(Hydroxyethylamino)-5-thiadiazolyl] -1-methyl-5-nitroimidazole2-[2-(Hydroxyethylamino)-5-thiadiazolyl]-1-methyl- 5-nitroimidazole
Database identifiers
- PubChem CID
- 21390847
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Related reactions
8 records
Linked notes
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