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

C10H9BrF2N2OS2 — CID 76850327

IUPAC6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCCc1nc2nc(S(=O)CC(F)F)sc2cc1Br
InChIInChI=1S/C10H9BrF2N2OS2/c1-2-6-5(11)3-7-9(14-6)15-10(17-7)18(16)4-8(12)13/h3,8H,2,4H2,1H3
InChIKeyUOLUVKNIOHZKLS-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.39
Rot. Bonds4

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

6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850327) has the molecular formula C10H9BrF2N2OS2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850327
Molecular FormulaC10H9BrF2N2OS2
Molecular Weight355.23 g/mol
Exact Mass353.93
IUPAC Name6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCCc1nc2nc(S(=O)CC(F)F)sc2cc1Br
InChIInChI=1S/C10H9BrF2N2OS2/c1-2-6-5(11)3-7-9(14-6)15-10(17-7)18(16)4-8(12)13/h3,8H,2,4H2,1H3
InChIKeyUOLUVKNIOHZKLS-UHFFFAOYSA-N
XLogP3.39
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazolo[4,5-b]pyridine,6-bromo-5-methyl-2-phenyl-
CID 44427393
6-Bromo-5-[2-(3,5-difluorophenyl)ethyl]-2-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 135372260
6-Fluoro-2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine
CID 146284815
5-Bromo-6-fluoro-2-methylthiazolo[4,5-b]pyridine
CID 146287291
6-Bromo-2-(2,5-dimethylpyrrol-1-yl)-5-fluoro-[1,3]thiazolo[4,5-b]pyridine
CID 171486879
Thiazolo[4,5-b]pyridine,6-bromo-2-[(2,2,2-trifluoroethyl)sulfonyl]-
CID 76850325
Thiazolo[4,5-b]pyridine,6-bromo-2-[(2,2,2-trifluoroethyl)thio]-
CID 76850326
Thiazolo[4,5-b]pyridine,6-bromo-2-[(2,2-difluoroethyl)sulfonyl]-
CID 76850328
Thiazolo[4,5-b]pyridine,6-bromo-2-[(2,2-difluoroethyl)thio]-5-ethyl-
CID 76850329
Thiazolo[4,5-b]pyridine,6-bromo-5,7-dimethyl-2-[(2,2,2-trifluoroethyl)sulfonyl]-
CID 76850339
Thiazolo[4,5-b]pyridine,6-bromo-5-methyl-2-[(2,2,2-trifluoroethyl)sulfonyl]-
CID 76850354
6-bromo-2-[(S)-2,2-difluoroethylsulfinyl]-5-ethyl-[1,3]thiazolo[4,5-b]pyridine
CID 97057273

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine (CID 76850327) is 6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine is CCc1nc2nc(S(=O)CC(F)F)sc2cc1Br.
What is the InChIKey of 6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is UOLUVKNIOHZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2OS2/c1-2-6-5(11)3-7-9(14-6)15-10(17-7)18(16)4-8(12)13/h3,8H,2,4H2,1H3.
What are the key properties of 6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-(2,2-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 355.23 g/mol, XLogP of 3.39, 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-difluoroethylsulfinyl)-5-ethyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).