5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole

C7H4F3N3O3S — CID 16780480

IUPAC5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(OCC(F)(F)F)nc2sccn12
InChIInChI=1S/C7H4F3N3O3S/c8-7(9,10)3-16-4-5(13(14)15)12-1-2-17-6(12)11-4/h1-2H,3H2
InChIKeyIKJAGOPIJKUHTM-UHFFFAOYSA-N
MW267.19 g/mol
LogP2.25
Rot. Bonds3

About 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole

5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 16780480) has the molecular formula C7H4F3N3O3S and a molecular weight of 267.19 g/mol. Its IUPAC name is 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID16780480
Molecular FormulaC7H4F3N3O3S
Molecular Weight267.19 g/mol
Exact Mass266.99
IUPAC Name5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(OCC(F)(F)F)nc2sccn12
InChIInChI=1S/C7H4F3N3O3S/c8-7(9,10)3-16-4-5(13(14)15)12-1-2-17-6(12)11-4/h1-2H,3H2
InChIKeyIKJAGOPIJKUHTM-UHFFFAOYSA-N
XLogP2.25
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole (CID 16780480) is 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(OCC(F)(F)F)nc2sccn12.
What is the InChIKey of 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is IKJAGOPIJKUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O3S/c8-7(9,10)3-16-4-5(13(14)15)12-1-2-17-6(12)11-4/h1-2H,3H2.
What are the key properties of 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole?
5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 267.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(2,2,2-trifluoroethoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 16780480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).