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

C8H5F3N2S2 — CID 22385774

IUPAC2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)CSc1nc2ncccc2s1
InChIInChI=1S/C8H5F3N2S2/c9-8(10,11)4-14-7-13-6-5(15-7)2-1-3-12-6/h1-3H,4H2
InChIKeyHZCINGNUWAEXKL-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.35
Rot. Bonds2

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

2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 22385774) has the molecular formula C8H5F3N2S2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID22385774
Molecular FormulaC8H5F3N2S2
Molecular Weight250.27 g/mol
Exact Mass249.98
IUPAC Name2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)CSc1nc2ncccc2s1
InChIInChI=1S/C8H5F3N2S2/c9-8(10,11)4-14-7-13-6-5(15-7)2-1-3-12-6/h1-3H,4H2
InChIKeyHZCINGNUWAEXKL-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine (CID 22385774) is 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine is FC(F)(F)CSc1nc2ncccc2s1.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is HZCINGNUWAEXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S2/c9-8(10,11)4-14-7-13-6-5(15-7)2-1-3-12-6/h1-3H,4H2.
What are the key properties of 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine?
2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 250.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 22385774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).