6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C11H4ClF3N6S — CID 52899363

IUPAC6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(-c3cn4cc(Cl)ccc4n3)nn12
InChIInChI=1S/C11H4ClF3N6S/c12-5-1-2-7-16-6(4-20(7)3-5)8-19-21-9(11(13,14)15)17-18-10(21)22-8/h1-4H
InChIKeyTVXLNQULAAFHFU-UHFFFAOYSA-N
MW344.71 g/mol
LogP3.17
Rot. Bonds1

About 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 52899363) has the molecular formula C11H4ClF3N6S and a molecular weight of 344.71 g/mol. Its IUPAC name is 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID52899363
Molecular FormulaC11H4ClF3N6S
Molecular Weight344.71 g/mol
Exact Mass343.99
IUPAC Name6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(-c3cn4cc(Cl)ccc4n3)nn12
InChIInChI=1S/C11H4ClF3N6S/c12-5-1-2-7-16-6(4-20(7)3-5)8-19-21-9(11(13,14)15)17-18-10(21)22-8/h1-4H
InChIKeyTVXLNQULAAFHFU-UHFFFAOYSA-N
XLogP3.17
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 52899363) is 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)c1nnc2sc(-c3cn4cc(Cl)ccc4n3)nn12.
What is the InChIKey of 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is TVXLNQULAAFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N6S/c12-5-1-2-7-16-6(4-20(7)3-5)8-19-21-9(11(13,14)15)17-18-10(21)22-8/h1-4H.
What are the key properties of 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 344.71 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 52899363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).