2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide

C15H16N2O2S — CID 114768122

IUPAC2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
SMILESCOc1cc(C)ccc1Oc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C15H16N2O2S/c1-9-4-5-12(13(6-9)18-3)19-14-8-11(15(16)20)7-10(2)17-14/h4-8H,1-3H3,(H2,16,20)
InChIKeyDQKNYZWMVLYJMJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.13
Rot. Bonds4

About 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide

2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide (PubChem CID 114768122) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
PubChem CID114768122
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
SMILESCOc1cc(C)ccc1Oc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C15H16N2O2S/c1-9-4-5-12(13(6-9)18-3)19-14-8-11(15(16)20)7-10(2)17-14/h4-8H,1-3H3,(H2,16,20)
InChIKeyDQKNYZWMVLYJMJ-UHFFFAOYSA-N
XLogP3.13
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.13
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

6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide
CID 64595504
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-methylpyridine-4-carboxamide
CID 107743933
2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
CID 114768114
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide
CID 114768084
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
CID 114768135
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide
CID 24702895
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbothioamide
CID 114768247
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbothioamide
CID 114768237
4-(2-methoxy-4-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80874328

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide (CID 114768122) is 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide is COc1cc(C)ccc1Oc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide?
The InChIKey is DQKNYZWMVLYJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9-4-5-12(13(6-9)18-3)19-14-8-11(15(16)20)7-10(2)17-14/h4-8H,1-3H3,(H2,16,20).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide?
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide has a molecular weight of 288.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114768122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).