1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone

C13H10N2O2S — CID 930267

IUPAC1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1sc2nc(-c3ccco3)ccc2c1N
InChIInChI=1S/C13H10N2O2S/c1-7(16)12-11(14)8-4-5-9(15-13(8)18-12)10-3-2-6-17-10/h2-6H,14H2,1H3
InChIKeyXOKDKVMZWSGZTD-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.34
Rot. Bonds2

About 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone

1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone (PubChem CID 930267) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone
PubChem CID930267
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1sc2nc(-c3ccco3)ccc2c1N
InChIInChI=1S/C13H10N2O2S/c1-7(16)12-11(14)8-4-5-9(15-13(8)18-12)10-3-2-6-17-10/h2-6H,14H2,1H3
InChIKeyXOKDKVMZWSGZTD-UHFFFAOYSA-N
XLogP3.34
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone (CID 930267) is 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone is CC(=O)c1sc2nc(-c3ccco3)ccc2c1N.
What is the InChIKey of 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is XOKDKVMZWSGZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-7(16)12-11(14)8-4-5-9(15-13(8)18-12)10-3-2-6-17-10/h2-6H,14H2,1H3.
What are the key properties of 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone?
1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 258.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 930267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).