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

C15H8ClN3O2S — CID 18516278

IUPAC3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole
SMILESClc1ccc(Oc2cncc3sc(-c4ncon4)cc23)cc1
InChIInChI=1S/C15H8ClN3O2S/c16-9-1-3-10(4-2-9)21-12-6-17-7-14-11(12)5-13(22-14)15-18-8-20-19-15/h1-8H
InChIKeyKLZDFJCCBVGCQN-UHFFFAOYSA-N
MW329.77 g/mol
LogP4.79
Rot. Bonds3

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

3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole (PubChem CID 18516278) has the molecular formula C15H8ClN3O2S and a molecular weight of 329.77 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole
PubChem CID18516278
Molecular FormulaC15H8ClN3O2S
Molecular Weight329.77 g/mol
Exact Mass329.00
IUPAC Name3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole
SMILESClc1ccc(Oc2cncc3sc(-c4ncon4)cc23)cc1
InChIInChI=1S/C15H8ClN3O2S/c16-9-1-3-10(4-2-9)21-12-6-17-7-14-11(12)5-13(22-14)15-18-8-20-19-15/h1-8H
InChIKeyKLZDFJCCBVGCQN-UHFFFAOYSA-N
XLogP4.79
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole (CID 18516278) is 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole is Clc1ccc(Oc2cncc3sc(-c4ncon4)cc23)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole?
The InChIKey is KLZDFJCCBVGCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O2S/c16-9-1-3-10(4-2-9)21-12-6-17-7-14-11(12)5-13(22-14)15-18-8-20-19-15/h1-8H.
What are the key properties of 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole?
3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole has a molecular weight of 329.77 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 18516278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).