2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C21H11ClFN3OS — CID 118708388

IUPAC2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3sc4ncccc4c3-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H11ClFN3OS/c22-14-7-3-12(4-8-14)17-16-2-1-11-24-21(16)28-18(17)20-26-25-19(27-20)13-5-9-15(23)10-6-13/h1-11H
InChIKeyTVJCLOAQEVINFL-UHFFFAOYSA-N
MW407.86 g/mol
LogP6.47
Rot. Bonds3

About 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 118708388) has the molecular formula C21H11ClFN3OS and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID118708388
Molecular FormulaC21H11ClFN3OS
Molecular Weight407.86 g/mol
Exact Mass407.03
IUPAC Name2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3sc4ncccc4c3-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H11ClFN3OS/c22-14-7-3-12(4-8-14)17-16-2-1-11-24-21(16)28-18(17)20-26-25-19(27-20)13-5-9-15(23)10-6-13/h1-11H
InChIKeyTVJCLOAQEVINFL-UHFFFAOYSA-N
XLogP6.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.86
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 118708388) is 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(-c3sc4ncccc4c3-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is TVJCLOAQEVINFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClFN3OS/c22-14-7-3-12(4-8-14)17-16-2-1-11-24-21(16)28-18(17)20-26-25-19(27-20)13-5-9-15(23)10-6-13/h1-11H.
What are the key properties of 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 407.86 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 118708388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).