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

C10H9BrF2N2S2 — CID 76850329

IUPAC6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCCc1nc2nc(SCC(F)F)sc2cc1Br
InChIInChI=1S/C10H9BrF2N2S2/c1-2-6-5(11)3-7-9(14-6)15-10(17-7)16-4-8(12)13/h3,8H,2,4H2,1H3
InChIKeyPUBRBPUAUYLVTM-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.37
Rot. Bonds4

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

6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850329) has the molecular formula C10H9BrF2N2S2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850329
Molecular FormulaC10H9BrF2N2S2
Molecular Weight339.23 g/mol
Exact Mass337.94
IUPAC Name6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCCc1nc2nc(SCC(F)F)sc2cc1Br
InChIInChI=1S/C10H9BrF2N2S2/c1-2-6-5(11)3-7-9(14-6)15-10(17-7)16-4-8(12)13/h3,8H,2,4H2,1H3
InChIKeyPUBRBPUAUYLVTM-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.37
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-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine (CID 76850329) is 6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine is CCc1nc2nc(SCC(F)F)sc2cc1Br.
What is the InChIKey of 6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is PUBRBPUAUYLVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2S2/c1-2-6-5(11)3-7-9(14-6)15-10(17-7)16-4-8(12)13/h3,8H,2,4H2,1H3.
What are the key properties of 6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-(2,2-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 339.23 g/mol, XLogP of 4.37, 4 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-difluoroethylsulfanyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).