3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C11H5F3N4OS — CID 138680104

IUPAC3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccnc(-c3cscn3)c2)no1
InChIInChI=1S/C11H5F3N4OS/c12-11(13,14)10-17-9(18-19-10)6-1-2-15-7(3-6)8-4-20-5-16-8/h1-5H
InChIKeyKOZNTUPYFDVYQR-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.27
Rot. Bonds2

About 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 138680104) has the molecular formula C11H5F3N4OS and a molecular weight of 298.25 g/mol. Its IUPAC name is 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID138680104
Molecular FormulaC11H5F3N4OS
Molecular Weight298.25 g/mol
Exact Mass298.01
IUPAC Name3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2ccnc(-c3cscn3)c2)no1
InChIInChI=1S/C11H5F3N4OS/c12-11(13,14)10-17-9(18-19-10)6-1-2-15-7(3-6)8-4-20-5-16-8/h1-5H
InChIKeyKOZNTUPYFDVYQR-UHFFFAOYSA-N
XLogP3.27
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 138680104) is 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2ccnc(-c3cscn3)c2)no1.
What is the InChIKey of 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is KOZNTUPYFDVYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4OS/c12-11(13,14)10-17-9(18-19-10)6-1-2-15-7(3-6)8-4-20-5-16-8/h1-5H.
What are the key properties of 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 298.25 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-thiazol-4-yl)-4-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138680104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).