2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide

C16H18N2OS — CID 61176908

IUPAC2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
SMILESCCc1ccc(Oc2nc(C)cc(C)c2C(N)=S)cc1
InChIInChI=1S/C16H18N2OS/c1-4-12-5-7-13(8-6-12)19-16-14(15(17)20)10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20)
InChIKeyMWHVNUHSPZSIHH-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide

2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 61176908) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
PubChem CID61176908
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
SMILESCCc1ccc(Oc2nc(C)cc(C)c2C(N)=S)cc1
InChIInChI=1S/C16H18N2OS/c1-4-12-5-7-13(8-6-12)19-16-14(15(17)20)10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20)
InChIKeyMWHVNUHSPZSIHH-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-hydroxyethyl)phenoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 107708866
4,6-dimethyl-2-(4-propan-2-ylphenoxy)pyridine-3-carbothioamide
CID 61176530
2-(3,5-difluorophenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 62786363
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
2-(2,3-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176715
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 63518405
2-(2-chloro-5-methylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176913
4,6-dimethyl-2-octoxypyridine-3-carbothioamide
CID 63519301
2,6-dimethyl-4-(4-propylphenoxy)pyridine-3-carbothioamide
CID 81035299
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 61175190

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide (CID 61176908) is 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide is CCc1ccc(Oc2nc(C)cc(C)c2C(N)=S)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is MWHVNUHSPZSIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-4-12-5-7-13(8-6-12)19-16-14(15(17)20)10(2)9-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20).
What are the key properties of 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide?
2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 286.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 61176908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).