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

C17H19FN2OS — CID 18142221

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone
SMILESCC(NCC(=O)N1CCc2sccc2C1)c1ccccc1F
InChIInChI=1S/C17H19FN2OS/c1-12(14-4-2-3-5-15(14)18)19-10-17(21)20-8-6-16-13(11-20)7-9-22-16/h2-5,7,9,12,19H,6,8,10-11H2,1H3
InChIKeyGVUNBYVKUNAMTB-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.12
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone (PubChem CID 18142221) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone
PubChem CID18142221
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone
SMILESCC(NCC(=O)N1CCc2sccc2C1)c1ccccc1F
InChIInChI=1S/C17H19FN2OS/c1-12(14-4-2-3-5-15(14)18)19-10-17(21)20-8-6-16-13(11-20)7-9-22-16/h2-5,7,9,12,19H,6,8,10-11H2,1H3
InChIKeyGVUNBYVKUNAMTB-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone (CID 18142221) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone is CC(NCC(=O)N1CCc2sccc2C1)c1ccccc1F.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone?
The InChIKey is GVUNBYVKUNAMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-12(14-4-2-3-5-15(14)18)19-10-17(21)20-8-6-16-13(11-20)7-9-22-16/h2-5,7,9,12,19H,6,8,10-11H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone has a molecular weight of 318.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-fluorophenyl)ethylamino]ethanone is sourced from PubChem (CID 18142221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).