4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole

C20H11ClN2OS2 — CID 23633509

IUPAC4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole
SMILESClc1ccc(-c2c(-c3coc(-c4cccs4)n3)sc3ncccc23)cc1
InChIInChI=1S/C20H11ClN2OS2/c21-13-7-5-12(6-8-13)17-14-3-1-9-22-20(14)26-18(17)15-11-24-19(23-15)16-4-2-10-25-16/h1-11H
InChIKeyXCQYTGAETZZIRL-UHFFFAOYSA-N
MW394.91 g/mol
LogP7.00
Rot. Bonds3

About 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole

4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 23633509) has the molecular formula C20H11ClN2OS2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID23633509
Molecular FormulaC20H11ClN2OS2
Molecular Weight394.91 g/mol
Exact Mass394.00
IUPAC Name4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole
SMILESClc1ccc(-c2c(-c3coc(-c4cccs4)n3)sc3ncccc23)cc1
InChIInChI=1S/C20H11ClN2OS2/c21-13-7-5-12(6-8-13)17-14-3-1-9-22-20(14)26-18(17)15-11-24-19(23-15)16-4-2-10-25-16/h1-11H
InChIKeyXCQYTGAETZZIRL-UHFFFAOYSA-N
XLogP7.00
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole (CID 23633509) is 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole is Clc1ccc(-c2c(-c3coc(-c4cccs4)n3)sc3ncccc23)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is XCQYTGAETZZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClN2OS2/c21-13-7-5-12(6-8-13)17-14-3-1-9-22-20(14)26-18(17)15-11-24-19(23-15)16-4-2-10-25-16/h1-11H.
What are the key properties of 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole?
4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 394.91 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 23633509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).