2-[2-(Hydroxyethylamino)-5-thiadiazolyl]-1-methyl-5-nitroimidazole

HCID 21390847

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

Related reactions

8 records

Linked notes

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