1-thieno[3,2-b]pyridin-6-ylethanone

C9H7NOS — CID 12885494

IUPAC1-thieno[3,2-b]pyridin-6-ylethanone
SMILESCC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C9H7NOS/c1-6(11)7-4-9-8(10-5-7)2-3-12-9/h2-5H,1H3
InChIKeyXDOMVPLWPJTUMI-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.50
Rot. Bonds1

About 1-thieno[3,2-b]pyridin-6-ylethanone

1-thieno[3,2-b]pyridin-6-ylethanone (PubChem CID 12885494) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 1-thieno[3,2-b]pyridin-6-ylethanone.

Molecular Properties

Compound Name1-thieno[3,2-b]pyridin-6-ylethanone
PubChem CID12885494
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name1-thieno[3,2-b]pyridin-6-ylethanone
SMILESCC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C9H7NOS/c1-6(11)7-4-9-8(10-5-7)2-3-12-9/h2-5H,1H3
InChIKeyXDOMVPLWPJTUMI-UHFFFAOYSA-N
XLogP2.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-thieno[3,2-b]pyridin-6-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]pyridin-6-ylethanone?
The IUPAC name of 1-thieno[3,2-b]pyridin-6-ylethanone (CID 12885494) is 1-thieno[3,2-b]pyridin-6-ylethanone.
What is the SMILES notation for 1-thieno[3,2-b]pyridin-6-ylethanone?
The canonical SMILES for 1-thieno[3,2-b]pyridin-6-ylethanone is CC(=O)c1cnc2ccsc2c1.
What is the InChIKey of 1-thieno[3,2-b]pyridin-6-ylethanone?
The InChIKey is XDOMVPLWPJTUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c1-6(11)7-4-9-8(10-5-7)2-3-12-9/h2-5H,1H3.
What are the key properties of 1-thieno[3,2-b]pyridin-6-ylethanone?
1-thieno[3,2-b]pyridin-6-ylethanone has a molecular weight of 177.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]pyridin-6-ylethanone is sourced from PubChem (CID 12885494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).