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

C8H5F4N3O3S — CID 16779918

IUPAC5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(OCC(F)(F)C(F)F)nc2sccn12
InChIInChI=1S/C8H5F4N3O3S/c9-6(10)8(11,12)3-18-4-5(15(16)17)14-1-2-19-7(14)13-4/h1-2,6H,3H2
InChIKeyYBKOLGVGSQQFAM-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.58
Rot. Bonds5

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

5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 16779918) has the molecular formula C8H5F4N3O3S and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID16779918
Molecular FormulaC8H5F4N3O3S
Molecular Weight299.21 g/mol
Exact Mass299.00
IUPAC Name5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole
SMILESO=[N+]([O-])c1c(OCC(F)(F)C(F)F)nc2sccn12
InChIInChI=1S/C8H5F4N3O3S/c9-6(10)8(11,12)3-18-4-5(15(16)17)14-1-2-19-7(14)13-4/h1-2,6H,3H2
InChIKeyYBKOLGVGSQQFAM-UHFFFAOYSA-N
XLogP2.58
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.58
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole (CID 16779918) is 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole is O=[N+]([O-])c1c(OCC(F)(F)C(F)F)nc2sccn12.
What is the InChIKey of 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is YBKOLGVGSQQFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4N3O3S/c9-6(10)8(11,12)3-18-4-5(15(16)17)14-1-2-19-7(14)13-4/h1-2,6H,3H2.
What are the key properties of 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole?
5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 299.21 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(2,2,3,3-tetrafluoropropoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 16779918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).