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

C14H13NO2S — CID 16763371

IUPAC7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3ccsc32)c1
InChIInChI=1S/C14H13NO2S/c1-17-10-4-2-3-9(7-10)11-8-13(16)15-12-5-6-18-14(11)12/h2-7,11H,8H2,1H3,(H,15,16)
InChIKeyAIDASRXKRLXPPD-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.23
Rot. Bonds2

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

7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 16763371) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID16763371
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3ccsc32)c1
InChIInChI=1S/C14H13NO2S/c1-17-10-4-2-3-9(7-10)11-8-13(16)15-12-5-6-18-14(11)12/h2-7,11H,8H2,1H3,(H,15,16)
InChIKeyAIDASRXKRLXPPD-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 16763371) is 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cccc(C2CC(=O)Nc3ccsc32)c1.
What is the InChIKey of 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is AIDASRXKRLXPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-17-10-4-2-3-9(7-10)11-8-13(16)15-12-5-6-18-14(11)12/h2-7,11H,8H2,1H3,(H,15,16).
What are the key properties of 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 259.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 16763371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).