5-(2-ethoxyphenoxy)pyridine-2-carbothioamide

C14H14N2O2S — CID 115488829

IUPAC5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
SMILESCCOc1ccccc1Oc1ccc(C(N)=S)nc1
InChIInChI=1S/C14H14N2O2S/c1-2-17-12-5-3-4-6-13(12)18-10-7-8-11(14(15)19)16-9-10/h3-9H,2H2,1H3,(H2,15,19)
InChIKeyNVFZTWQEDGSCMG-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.91
Rot. Bonds5

About 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide

5-(2-ethoxyphenoxy)pyridine-2-carbothioamide (PubChem CID 115488829) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
PubChem CID115488829
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
SMILESCCOc1ccccc1Oc1ccc(C(N)=S)nc1
InChIInChI=1S/C14H14N2O2S/c1-2-17-12-5-3-4-6-13(12)18-10-7-8-11(14(15)19)16-9-10/h3-9H,2H2,1H3,(H2,15,19)
InChIKeyNVFZTWQEDGSCMG-UHFFFAOYSA-N
XLogP2.91
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.91
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

5-(2-chlorophenoxy)pyridine-2-carbothioamide
CID 113321027
5-(4-propoxyphenoxy)pyridine-2-carbothioamide
CID 115488868
1-[5-(2-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124644
5-(3-methoxypropoxy)pyridine-2-carbothioamide
CID 115488901
5-(3-methylphenoxy)pyridine-2-carbothioamide
CID 113321030
5-(4-chloro-2-methylphenoxy)pyridine-2-carbothioamide
CID 113321034
5-(2-bromo-4-fluorophenoxy)pyridine-2-carbothioamide
CID 113321022
5-(2,4-dichlorophenoxy)pyridine-2-carbothioamide
CID 115488843
2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide
CID 107929491
5-ethoxy-N-phenylpyridine-2-carbothioamide
CID 146277079
[4-(2-ethoxyphenoxy)-2-pyridinyl]methanamine
CID 62298325
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide (CID 115488829) is 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide is CCOc1ccccc1Oc1ccc(C(N)=S)nc1.
What is the InChIKey of 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide?
The InChIKey is NVFZTWQEDGSCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-17-12-5-3-4-6-13(12)18-10-7-8-11(14(15)19)16-9-10/h3-9H,2H2,1H3,(H2,15,19).
What are the key properties of 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide?
5-(2-ethoxyphenoxy)pyridine-2-carbothioamide has a molecular weight of 274.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 115488829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).