2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol

C13H16N2OS — CID 118740630

IUPAC2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C13H16N2OS/c16-7-3-10-2-6-15(9-10)12-1-5-14-11-4-8-17-13(11)12/h1,4-5,8,10,16H,2-3,6-7,9H2
InChIKeyXLEHDLZBFCTHTR-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.51
Rot. Bonds3

About 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol

2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol (PubChem CID 118740630) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol
PubChem CID118740630
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C13H16N2OS/c16-7-3-10-2-6-15(9-10)12-1-5-14-11-4-8-17-13(11)12/h1,4-5,8,10,16H,2-3,6-7,9H2
InChIKeyXLEHDLZBFCTHTR-UHFFFAOYSA-N
XLogP2.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol (CID 118740630) is 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol is OCCC1CCN(c2ccnc3ccsc23)C1.
What is the InChIKey of 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol?
The InChIKey is XLEHDLZBFCTHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-7-3-10-2-6-15(9-10)12-1-5-14-11-4-8-17-13(11)12/h1,4-5,8,10,16H,2-3,6-7,9H2.
What are the key properties of 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol?
2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol has a molecular weight of 248.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 118740630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).