6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine

C7H3F3N2S2 — CID 154703898

IUPAC6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)Sc1cnc2scnc2c1
InChIInChI=1S/C7H3F3N2S2/c8-7(9,10)14-4-1-5-6(11-2-4)13-3-12-5/h1-3H
InChIKeyXHNDNSYNFITYEM-UHFFFAOYSA-N
MW236.24 g/mol
LogP3.30
Rot. Bonds1

About 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine

6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 154703898) has the molecular formula C7H3F3N2S2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID154703898
Molecular FormulaC7H3F3N2S2
Molecular Weight236.24 g/mol
Exact Mass235.97
IUPAC Name6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)Sc1cnc2scnc2c1
InChIInChI=1S/C7H3F3N2S2/c8-7(9,10)14-4-1-5-6(11-2-4)13-3-12-5/h1-3H
InChIKeyXHNDNSYNFITYEM-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine (CID 154703898) is 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine is FC(F)(F)Sc1cnc2scnc2c1.
What is the InChIKey of 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is XHNDNSYNFITYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2S2/c8-7(9,10)14-4-1-5-6(11-2-4)13-3-12-5/h1-3H.
What are the key properties of 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine?
6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 236.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethylsulfanyl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 154703898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).