4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid

C11H13NO3S — CID 16776447

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C11H13NO3S/c13-10(1-2-11(14)15)12-5-3-9-8(7-12)4-6-16-9/h4,6H,1-3,5,7H2,(H,14,15)
InChIKeyWSAMPYWVKZAUBK-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.50
Rot. Bonds3

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid (PubChem CID 16776447) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid
PubChem CID16776447
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C11H13NO3S/c13-10(1-2-11(14)15)12-5-3-9-8(7-12)4-6-16-9/h4,6H,1-3,5,7H2,(H,14,15)
InChIKeyWSAMPYWVKZAUBK-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid 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 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid (CID 16776447) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid?
The InChIKey is WSAMPYWVKZAUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(1-2-11(14)15)12-5-3-9-8(7-12)4-6-16-9/h4,6H,1-3,5,7H2,(H,14,15).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid has a molecular weight of 239.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid is sourced from PubChem (CID 16776447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).