6-(3-methoxyphenoxy)pyridine-3-carbothioamide

C13H12N2O2S — CID 24697882

IUPAC6-(3-methoxyphenoxy)pyridine-3-carbothioamide
SMILESCOc1cccc(Oc2ccc(C(N)=S)cn2)c1
InChIInChI=1S/C13H12N2O2S/c1-16-10-3-2-4-11(7-10)17-12-6-5-9(8-15-12)13(14)18/h2-8H,1H3,(H2,14,18)
InChIKeyYUJFTJKZRDJGQS-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.52
Rot. Bonds4

About 6-(3-methoxyphenoxy)pyridine-3-carbothioamide

6-(3-methoxyphenoxy)pyridine-3-carbothioamide (PubChem CID 24697882) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-(3-methoxyphenoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(3-methoxyphenoxy)pyridine-3-carbothioamide
PubChem CID24697882
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name6-(3-methoxyphenoxy)pyridine-3-carbothioamide
SMILESCOc1cccc(Oc2ccc(C(N)=S)cn2)c1
InChIInChI=1S/C13H12N2O2S/c1-16-10-3-2-4-11(7-10)17-12-6-5-9(8-15-12)13(14)18/h2-8H,1H3,(H2,14,18)
InChIKeyYUJFTJKZRDJGQS-UHFFFAOYSA-N
XLogP2.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.52
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-(3-bromo-4-fluorophenoxy)pyridine-3-carbothioamide
CID 83231746
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
CID 43369949
[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid
CID 74890632
4-(3-methoxyphenoxy)-3-methylbenzenecarbothioamide
CID 54933965
6-(4-bromo-3-fluorophenoxy)pyridine-3-carbothioamide
CID 65203705
6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 64600208
4-methoxy-3-[2-(3-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20984249
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 56682818
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenoxy)pyridine-3-carbothioamide?
The IUPAC name of 6-(3-methoxyphenoxy)pyridine-3-carbothioamide (CID 24697882) is 6-(3-methoxyphenoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(3-methoxyphenoxy)pyridine-3-carbothioamide?
The canonical SMILES for 6-(3-methoxyphenoxy)pyridine-3-carbothioamide is COc1cccc(Oc2ccc(C(N)=S)cn2)c1.
What is the InChIKey of 6-(3-methoxyphenoxy)pyridine-3-carbothioamide?
The InChIKey is YUJFTJKZRDJGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-16-10-3-2-4-11(7-10)17-12-6-5-9(8-15-12)13(14)18/h2-8H,1H3,(H2,14,18).
What are the key properties of 6-(3-methoxyphenoxy)pyridine-3-carbothioamide?
6-(3-methoxyphenoxy)pyridine-3-carbothioamide has a molecular weight of 260.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 24697882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).