2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole

C16H8F3N3O2S — CID 18516213

IUPAC2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Oc2cncc3sc(-c4nnco4)cc23)cc1
InChIInChI=1S/C16H8F3N3O2S/c17-16(18,19)9-1-3-10(4-2-9)24-12-6-20-7-14-11(12)5-13(25-14)15-22-21-8-23-15/h1-8H
InChIKeyKUXWEGCUDSNQRW-UHFFFAOYSA-N
MW363.32 g/mol
LogP5.16
Rot. Bonds3

About 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole

2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole (PubChem CID 18516213) has the molecular formula C16H8F3N3O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole
PubChem CID18516213
Molecular FormulaC16H8F3N3O2S
Molecular Weight363.32 g/mol
Exact Mass363.03
IUPAC Name2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Oc2cncc3sc(-c4nnco4)cc23)cc1
InChIInChI=1S/C16H8F3N3O2S/c17-16(18,19)9-1-3-10(4-2-9)24-12-6-20-7-14-11(12)5-13(25-14)15-22-21-8-23-15/h1-8H
InChIKeyKUXWEGCUDSNQRW-UHFFFAOYSA-N
XLogP5.16
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.32
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole (CID 18516213) is 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(Oc2cncc3sc(-c4nnco4)cc23)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole?
The InChIKey is KUXWEGCUDSNQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3O2S/c17-16(18,19)9-1-3-10(4-2-9)24-12-6-20-7-14-11(12)5-13(25-14)15-22-21-8-23-15/h1-8H.
What are the key properties of 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole?
2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole has a molecular weight of 363.32 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 18516213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).