6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine

C8H4BrF3N2S2 — CID 76850326

IUPAC6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)CSc1nc2ncc(Br)cc2s1
InChIInChI=1S/C8H4BrF3N2S2/c9-4-1-5-6(13-2-4)14-7(16-5)15-3-8(10,11)12/h1-2H,3H2
InChIKeyJJYKOKMYZIXGJL-UHFFFAOYSA-N
MW329.17 g/mol
LogP4.11
Rot. Bonds2

About 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine

6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850326) has the molecular formula C8H4BrF3N2S2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850326
Molecular FormulaC8H4BrF3N2S2
Molecular Weight329.17 g/mol
Exact Mass327.90
IUPAC Name6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)CSc1nc2ncc(Br)cc2s1
InChIInChI=1S/C8H4BrF3N2S2/c9-4-1-5-6(13-2-4)14-7(16-5)15-3-8(10,11)12/h1-2H,3H2
InChIKeyJJYKOKMYZIXGJL-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine (CID 76850326) is 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine is FC(F)(F)CSc1nc2ncc(Br)cc2s1.
What is the InChIKey of 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is JJYKOKMYZIXGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2S2/c9-4-1-5-6(13-2-4)14-7(16-5)15-3-8(10,11)12/h1-2H,3H2.
What are the key properties of 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 329.17 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).