1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone

C13H9NOS2 — CID 110282316

IUPAC1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(-c2ccnc3ccsc23)s1
InChIInChI=1S/C13H9NOS2/c1-8(15)11-2-3-12(17-11)9-4-6-14-10-5-7-16-13(9)10/h2-7H,1H3
InChIKeySUPJFFXDHHEURW-UHFFFAOYSA-N
MW259.36 g/mol
LogP4.23
Rot. Bonds2

About 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone

1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone (PubChem CID 110282316) has the molecular formula C13H9NOS2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone
PubChem CID110282316
Molecular FormulaC13H9NOS2
Molecular Weight259.36 g/mol
Exact Mass259.01
IUPAC Name1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone
SMILESCC(=O)c1ccc(-c2ccnc3ccsc23)s1
InChIInChI=1S/C13H9NOS2/c1-8(15)11-2-3-12(17-11)9-4-6-14-10-5-7-16-13(9)10/h2-7H,1H3
InChIKeySUPJFFXDHHEURW-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone (CID 110282316) is 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone is CC(=O)c1ccc(-c2ccnc3ccsc23)s1.
What is the InChIKey of 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone?
The InChIKey is SUPJFFXDHHEURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS2/c1-8(15)11-2-3-12(17-11)9-4-6-14-10-5-7-16-13(9)10/h2-7H,1H3.
What are the key properties of 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone?
1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone has a molecular weight of 259.36 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thieno[3,2-b]pyridin-7-ylthiophen-2-yl)ethanone is sourced from PubChem (CID 110282316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).