1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone

C15H22N2O2S — CID 102611383

IUPAC1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCCC1c2ccsc2CCN1C(=O)COC1(C)CNC1
InChIInChI=1S/C15H22N2O2S/c1-3-12-11-5-7-20-13(11)4-6-17(12)14(18)8-19-15(2)9-16-10-15/h5,7,12,16H,3-4,6,8-10H2,1-2H3
InChIKeyYSDNIBGEBTXUKH-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.96
Rot. Bonds4

About 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102611383) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102611383
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCCC1c2ccsc2CCN1C(=O)COC1(C)CNC1
InChIInChI=1S/C15H22N2O2S/c1-3-12-11-5-7-20-13(11)4-6-17(12)14(18)8-19-15(2)9-16-10-15/h5,7,12,16H,3-4,6,8-10H2,1-2H3
InChIKeyYSDNIBGEBTXUKH-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxy)ethanone
CID 103606773
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121981
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-morpholin-2-ylethanone
CID 66428704
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924222
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63143886
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 102556105
2-(2-chloro-5-methylphenoxy)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112798023
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone
CID 81130003
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980104

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone (CID 102611383) is 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone is CCC1c2ccsc2CCN1C(=O)COC1(C)CNC1.
What is the InChIKey of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is YSDNIBGEBTXUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-12-11-5-7-20-13(11)4-6-17(12)14(18)8-19-15(2)9-16-10-15/h5,7,12,16H,3-4,6,8-10H2,1-2H3.
What are the key properties of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 294.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102611383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).