2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine

C15H9F3N2S2 — CID 134954965

IUPAC2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc(/C=C/Sc2nc3cccnc3s2)cc1
InChIInChI=1S/C15H9F3N2S2/c16-15(17,18)11-5-3-10(4-6-11)7-9-21-14-20-12-2-1-8-19-13(12)22-14/h1-9H/b9-7+
InChIKeyJECRDJMGSDRUQG-VQHVLOKHSA-N
MW338.38 g/mol
LogP5.47
Rot. Bonds3

About 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine

2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 134954965) has the molecular formula C15H9F3N2S2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID134954965
Molecular FormulaC15H9F3N2S2
Molecular Weight338.38 g/mol
Exact Mass338.02
IUPAC Name2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc(/C=C/Sc2nc3cccnc3s2)cc1
InChIInChI=1S/C15H9F3N2S2/c16-15(17,18)11-5-3-10(4-6-11)7-9-21-14-20-12-2-1-8-19-13(12)22-14/h1-9H/b9-7+
InChIKeyJECRDJMGSDRUQG-VQHVLOKHSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine (CID 134954965) is 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine is FC(F)(F)c1ccc(/C=C/Sc2nc3cccnc3s2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is JECRDJMGSDRUQG-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H9F3N2S2/c16-15(17,18)11-5-3-10(4-6-11)7-9-21-14-20-12-2-1-8-19-13(12)22-14/h1-9H/b9-7+.
What are the key properties of 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine?
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 338.38 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanyl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 134954965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).