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

C13H17F3N2OS — CID 78924222

IUPAC1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCCC1c2ccsc2CCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C13H17F3N2OS/c1-2-10-9-4-6-20-11(9)3-5-18(10)12(19)7-17-8-13(14,15)16/h4,6,10,17H,2-3,5,7-8H2,1H3
InChIKeyZPUGHHHECZLUDO-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.74
Rot. Bonds4

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

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78924222) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78924222
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCCC1c2ccsc2CCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C13H17F3N2OS/c1-2-10-9-4-6-20-11(9)3-5-18(10)12(19)7-17-8-13(14,15)16/h4,6,10,17H,2-3,5,7-8H2,1H3
InChIKeyZPUGHHHECZLUDO-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone with MolForge

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Related Compounds

2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 42886199
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 42885861
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)-2,2,3-trimethylbutan-1-one
CID 65269950
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611383
3-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 56810240
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 78924222) is 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CCC1c2ccsc2CCN1C(=O)CNCC(F)(F)F.
What is the InChIKey of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is ZPUGHHHECZLUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-2-10-9-4-6-20-11(9)3-5-18(10)12(19)7-17-8-13(14,15)16/h4,6,10,17H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 306.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78924222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).