2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid

C13H13NO3S — CID 43477698

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CN1CCc2sccc2C1
InChIInChI=1S/C13H13NO3S/c15-13(16)10-2-5-17-11(10)8-14-4-1-12-9(7-14)3-6-18-12/h2-3,5-6H,1,4,7-8H2,(H,15,16)
InChIKeyXHVVGJLXDLXSSD-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.60
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid (PubChem CID 43477698) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid
PubChem CID43477698
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CN1CCc2sccc2C1
InChIInChI=1S/C13H13NO3S/c15-13(16)10-2-5-17-11(10)8-14-4-1-12-9(7-14)3-6-18-12/h2-3,5-6H,1,4,7-8H2,(H,15,16)
InChIKeyXHVVGJLXDLXSSD-UHFFFAOYSA-N
XLogP2.60
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid (CID 43477698) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid is O=C(O)c1ccoc1CN1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid?
The InChIKey is XHVVGJLXDLXSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c15-13(16)10-2-5-17-11(10)8-14-4-1-12-9(7-14)3-6-18-12/h2-3,5-6H,1,4,7-8H2,(H,15,16).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 43477698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).