7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C15H15NO2S — CID 50945296

IUPAC7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1ccccc1C1CC(=O)Nc2ccsc21
InChIInChI=1S/C15H15NO2S/c1-2-18-13-6-4-3-5-10(13)11-9-14(17)16-12-7-8-19-15(11)12/h3-8,11H,2,9H2,1H3,(H,16,17)
InChIKeyRGGPIAXJTSPKOD-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.62
Rot. Bonds3

About 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 50945296) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID50945296
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1ccccc1C1CC(=O)Nc2ccsc21
InChIInChI=1S/C15H15NO2S/c1-2-18-13-6-4-3-5-10(13)11-9-14(17)16-12-7-8-19-15(11)12/h3-8,11H,2,9H2,1H3,(H,16,17)
InChIKeyRGGPIAXJTSPKOD-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 50945296) is 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCOc1ccccc1C1CC(=O)Nc2ccsc21.
What is the InChIKey of 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is RGGPIAXJTSPKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-2-18-13-6-4-3-5-10(13)11-9-14(17)16-12-7-8-19-15(11)12/h3-8,11H,2,9H2,1H3,(H,16,17).
What are the key properties of 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 273.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 50945296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).