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

C14H14N2O2S — CID 64595504

IUPAC6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide
SMILESCOc1cc(C)ccc1Oc1cccc(C(N)=S)n1
InChIInChI=1S/C14H14N2O2S/c1-9-6-7-11(12(8-9)17-2)18-13-5-3-4-10(16-13)14(15)19/h3-8H,1-2H3,(H2,15,19)
InChIKeyXYSZYRRHLLAMKX-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.83
Rot. Bonds4

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

6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide (PubChem CID 64595504) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide
PubChem CID64595504
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide
SMILESCOc1cc(C)ccc1Oc1cccc(C(N)=S)n1
InChIInChI=1S/C14H14N2O2S/c1-9-6-7-11(12(8-9)17-2)18-13-5-3-4-10(16-13)14(15)19/h3-8H,1-2H3,(H2,15,19)
InChIKeyXYSZYRRHLLAMKX-UHFFFAOYSA-N
XLogP2.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.83
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-bromo-4-methoxyphenoxy)pyridine-2-carbothioamide
CID 104707183
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
6-(2-methylphenoxy)pyridine-2-carbothioamide
CID 64596092
2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine
CID 59191403
6-(5-bromo-2-methylphenoxy)pyridine-2-carbothioamide
CID 107283847
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-2-carbothioamide
CID 81342313
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221
6-[3-(methoxymethyl)phenoxy]pyridine-2-carbothioamide
CID 64593563
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
6-pyridin-3-yloxypyridine-2-carbothioamide
CID 64594143
6-(6-bromonaphthalen-2-yl)oxypyridine-2-carbothioamide
CID 64594328

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide?
The IUPAC name of 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide (CID 64595504) is 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide?
The canonical SMILES for 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide is COc1cc(C)ccc1Oc1cccc(C(N)=S)n1.
What is the InChIKey of 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide?
The InChIKey is XYSZYRRHLLAMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-6-7-11(12(8-9)17-2)18-13-5-3-4-10(16-13)14(15)19/h3-8H,1-2H3,(H2,15,19).
What are the key properties of 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide?
6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide has a molecular weight of 274.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-methylphenoxy)pyridine-2-carbothioamide is sourced from PubChem (CID 64595504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).