ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate

C14H15NO2S — CID 11021653

IUPACethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate
SMILESCCOC(=O)CC(c1ccsc1)c1ccccn1
InChIInChI=1S/C14H15NO2S/c1-2-17-14(16)9-12(11-6-8-18-10-11)13-5-3-4-7-15-13/h3-8,10,12H,2,9H2,1H3
InChIKeyJVSFTBRIHYWZPR-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.23
Rot. Bonds5

About ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate

ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate (PubChem CID 11021653) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate
PubChem CID11021653
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate
SMILESCCOC(=O)CC(c1ccsc1)c1ccccn1
InChIInChI=1S/C14H15NO2S/c1-2-17-14(16)9-12(11-6-8-18-10-11)13-5-3-4-7-15-13/h3-8,10,12H,2,9H2,1H3
InChIKeyJVSFTBRIHYWZPR-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
ethyl 3-benzoyl-4-oxo-4-phenyl-2-thiophen-3-ylbutanoate
CID 172994244
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 2-thiophen-3-ylbutanoate
CID 12577566
ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
N-(1-pyridin-2-ylethyl)-1-thiophen-3-ylethanamine
CID 62089613
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5033531

Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate?
The IUPAC name of ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate (CID 11021653) is ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate.
What is the SMILES notation for ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate?
The canonical SMILES for ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate is CCOC(=O)CC(c1ccsc1)c1ccccn1.
What is the InChIKey of ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate?
The InChIKey is JVSFTBRIHYWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-17-14(16)9-12(11-6-8-18-10-11)13-5-3-4-7-15-13/h3-8,10,12H,2,9H2,1H3.
What are the key properties of ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate?
ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate has a molecular weight of 261.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyridin-2-yl-3-thiophen-3-ylpropanoate is sourced from PubChem (CID 11021653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).