3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine

C18H11F3N2S2 — CID 71578667

IUPAC3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3c2)c1
InChIInChI=1S/C18H11F3N2S2/c19-18(20,21)12-3-1-4-13(9-12)25-14-6-7-17-22-10-15(23(17)11-14)16-5-2-8-24-16/h1-11H
InChIKeyUHCNWUZLSUYIHK-UHFFFAOYSA-N
MW376.43 g/mol
LogP6.23
Rot. Bonds3

About 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine

3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine (PubChem CID 71578667) has the molecular formula C18H11F3N2S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine
PubChem CID71578667
Molecular FormulaC18H11F3N2S2
Molecular Weight376.43 g/mol
Exact Mass376.03
IUPAC Name3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3c2)c1
InChIInChI=1S/C18H11F3N2S2/c19-18(20,21)12-3-1-4-13(9-12)25-14-6-7-17-22-10-15(23(17)11-14)16-5-2-8-24-16/h1-11H
InChIKeyUHCNWUZLSUYIHK-UHFFFAOYSA-N
XLogP6.23
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine?
The IUPAC name of 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine (CID 71578667) is 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine is FC(F)(F)c1cccc(Sc2ccc3ncc(-c4cccs4)n3c2)c1.
What is the InChIKey of 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine?
The InChIKey is UHCNWUZLSUYIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2S2/c19-18(20,21)12-3-1-4-13(9-12)25-14-6-7-17-22-10-15(23(17)11-14)16-5-2-8-24-16/h1-11H.
What are the key properties of 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine?
3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine has a molecular weight of 376.43 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine is sourced from PubChem (CID 71578667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).