5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one

C11H14N2O2S — CID 103482414

IUPAC5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
SMILESNCCOCCn1ccc2sccc2c1=O
InChIInChI=1S/C11H14N2O2S/c12-3-6-15-7-5-13-4-1-10-9(11(13)14)2-8-16-10/h1-2,4,8H,3,5-7,12H2
InChIKeyBQAJGIWHERKLGQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.04
Rot. Bonds5

About 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one

5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 103482414) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID103482414
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
SMILESNCCOCCn1ccc2sccc2c1=O
InChIInChI=1S/C11H14N2O2S/c12-3-6-15-7-5-13-4-1-10-9(11(13)14)2-8-16-10/h1-2,4,8H,3,5-7,12H2
InChIKeyBQAJGIWHERKLGQ-UHFFFAOYSA-N
XLogP1.04
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one (CID 103482414) is 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one is NCCOCCn1ccc2sccc2c1=O.
What is the InChIKey of 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is BQAJGIWHERKLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c12-3-6-15-7-5-13-4-1-10-9(11(13)14)2-8-16-10/h1-2,4,8H,3,5-7,12H2.
What are the key properties of 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one?
5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 238.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 103482414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).