1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C15H15NOS — CID 122392531

IUPAC1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C15H15NOS/c1-11(17)16-9-7-14-13(8-10-18-14)15(16)12-5-3-2-4-6-12/h2-6,8,10,15H,7,9H2,1H3
InChIKeySXFYCEXTSBQTDQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.24
Rot. Bonds1

About 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 122392531) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID122392531
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C15H15NOS/c1-11(17)16-9-7-14-13(8-10-18-14)15(16)12-5-3-2-4-6-12/h2-6,8,10,15H,7,9H2,1H3
InChIKeySXFYCEXTSBQTDQ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 122392531) is 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is SXFYCEXTSBQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11(17)16-9-7-14-13(8-10-18-14)15(16)12-5-3-2-4-6-12/h2-6,8,10,15H,7,9H2,1H3.
What are the key properties of 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 257.36 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 122392531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).