3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide

C15H16N2O2S — CID 107664918

IUPAC3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide
SMILESCCc1ccc(Oc2cnccc2C(N)=S)c(OC)c1
InChIInChI=1S/C15H16N2O2S/c1-3-10-4-5-12(13(8-10)18-2)19-14-9-17-7-6-11(14)15(16)20/h4-9H,3H2,1-2H3,(H2,16,20)
InChIKeyYXMKPPOMYHMCMP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.08
Rot. Bonds5

About 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide

3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide (PubChem CID 107664918) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide
PubChem CID107664918
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide
SMILESCCc1ccc(Oc2cnccc2C(N)=S)c(OC)c1
InChIInChI=1S/C15H16N2O2S/c1-3-10-4-5-12(13(8-10)18-2)19-14-9-17-7-6-11(14)15(16)20/h4-9H,3H2,1-2H3,(H2,16,20)
InChIKeyYXMKPPOMYHMCMP-UHFFFAOYSA-N
XLogP3.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916
4-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664132
3-bromo-4-(4-ethyl-2-methoxyphenoxy)benzenecarbothioamide
CID 107664923
3-(4-ethyl-2-methoxyphenoxy)propanethioamide
CID 107664967
2-(4-ethyl-2-methoxyphenoxy)-5-methylpyridin-3-amine
CID 107663853
3-(4-butan-2-ylphenoxy)pyridine-4-carbothioamide
CID 107664883
3-(1-ethylpyrazol-4-yl)oxypyridine-4-carbothioamide
CID 116801318
3-(5-bromo-2-fluorophenoxy)pyridine-4-carbothioamide
CID 114672471
[6-(4-ethyl-2-methoxyphenoxy)pyrazin-2-yl]methanamine
CID 107668249
4-(ethoxymethyl)-2-methoxybenzenecarbothioamide
CID 106789106
2-(4-ethyl-2-methoxyphenoxy)-1,3-thiazol-5-amine
CID 107663780
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide?
The IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide (CID 107664918) is 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide?
The canonical SMILES for 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide is CCc1ccc(Oc2cnccc2C(N)=S)c(OC)c1.
What is the InChIKey of 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide?
The InChIKey is YXMKPPOMYHMCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-10-4-5-12(13(8-10)18-2)19-14-9-17-7-6-11(14)15(16)20/h4-9H,3H2,1-2H3,(H2,16,20).
What are the key properties of 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide?
3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide has a molecular weight of 288.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methoxyphenoxy)pyridine-4-carbothioamide is sourced from PubChem (CID 107664918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).