2-{2-[4-(2-Thiazolyl)-1-piperazinyl]-5-thiadiazolyl]-1-methyl-5-nitroimidazole

HCID 21390853

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

Related reactions

3 records

Linked notes

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