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

C8H5BrF2N2O2S2 — CID 76850328

IUPAC6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESO=S(=O)(CC(F)F)c1nc2ncc(Br)cc2s1
InChIInChI=1S/C8H5BrF2N2O2S2/c9-4-1-5-7(12-2-4)13-8(16-5)17(14,15)3-6(10)11/h1-2,6H,3H2
InChIKeyBSCCQVBDSVYSCT-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.49
Rot. Bonds3

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

6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850328) has the molecular formula C8H5BrF2N2O2S2 and a molecular weight of 343.17 g/mol. Its IUPAC name is 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850328
Molecular FormulaC8H5BrF2N2O2S2
Molecular Weight343.17 g/mol
Exact Mass341.89
IUPAC Name6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESO=S(=O)(CC(F)F)c1nc2ncc(Br)cc2s1
InChIInChI=1S/C8H5BrF2N2O2S2/c9-4-1-5-7(12-2-4)13-8(16-5)17(14,15)3-6(10)11/h1-2,6H,3H2
InChIKeyBSCCQVBDSVYSCT-UHFFFAOYSA-N
XLogP2.49
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine (CID 76850328) is 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine is O=S(=O)(CC(F)F)c1nc2ncc(Br)cc2s1.
What is the InChIKey of 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is BSCCQVBDSVYSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O2S2/c9-4-1-5-7(12-2-4)13-8(16-5)17(14,15)3-6(10)11/h1-2,6H,3H2.
What are the key properties of 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 343.17 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2-difluoroethylsulfonyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).