ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate

C14H15NO3S — CID 11778270

IUPACethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate
SMILESCCOC(=O)C(C)Oc1cscc1-c1ccccn1
InChIInChI=1S/C14H15NO3S/c1-3-17-14(16)10(2)18-13-9-19-8-11(13)12-6-4-5-7-15-12/h4-10H,3H2,1-2H3
InChIKeyZPVFEFPIWBHRLR-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.14
Rot. Bonds5

About ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate

ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate (PubChem CID 11778270) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate
PubChem CID11778270
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate
SMILESCCOC(=O)C(C)Oc1cscc1-c1ccccn1
InChIInChI=1S/C14H15NO3S/c1-3-17-14(16)10(2)18-13-9-19-8-11(13)12-6-4-5-7-15-12/h4-10H,3H2,1-2H3
InChIKeyZPVFEFPIWBHRLR-UHFFFAOYSA-N
XLogP3.14
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylthiophen-3-yl)pyridine
CID 89109997
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
CID 56931322
ethyl 2-[2-(bromomethyl)phenoxy]propanoate
CID 11808300
ethyl pyridine-2-carboxylate
CID 17307
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
phenacyl 2-(1-ethoxy-1-oxopropan-2-yl)oxy-6-hydroxybenzoate
CID 134120107
ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
CID 171866921
ethyl 2-[2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63062046
ethyl 2-[4-[4,6-bis[4-(1-ethoxy-1-oxopropan-2-yl)oxynaphthalen-1-yl]-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 135553630
ethyl 4-pyridin-2-yl-3-(trifluoromethylsulfanyl)benzoate
CID 102236679
ethyl (2S)-2-dibenzofuran-4-yloxypropanoate
CID 129404181

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate?
The IUPAC name of ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate (CID 11778270) is ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate.
What is the SMILES notation for ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate?
The canonical SMILES for ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate is CCOC(=O)C(C)Oc1cscc1-c1ccccn1.
What is the InChIKey of ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate?
The InChIKey is ZPVFEFPIWBHRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-17-14(16)10(2)18-13-9-19-8-11(13)12-6-4-5-7-15-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate?
ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate has a molecular weight of 277.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate is sourced from PubChem (CID 11778270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).