2-(2-methoxyphenoxy)pyridine-3-carbothioamide

C13H12N2O2S — CID 24702703

IUPAC2-(2-methoxyphenoxy)pyridine-3-carbothioamide
SMILESCOc1ccccc1Oc1ncccc1C(N)=S
InChIInChI=1S/C13H12N2O2S/c1-16-10-6-2-3-7-11(10)17-13-9(12(14)18)5-4-8-15-13/h2-8H,1H3,(H2,14,18)
InChIKeyRACGHZNGYNAQNR-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-methoxyphenoxy)pyridine-3-carbothioamide

2-(2-methoxyphenoxy)pyridine-3-carbothioamide (PubChem CID 24702703) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)pyridine-3-carbothioamide
PubChem CID24702703
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-(2-methoxyphenoxy)pyridine-3-carbothioamide
SMILESCOc1ccccc1Oc1ncccc1C(N)=S
InChIInChI=1S/C13H12N2O2S/c1-16-10-6-2-3-7-11(10)17-13-9(12(14)18)5-4-8-15-13/h2-8H,1H3,(H2,14,18)
InChIKeyRACGHZNGYNAQNR-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

N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
3-bromo-2-(2-methoxyphenoxy)pyridine
CID 61375067
2-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbothioamide
CID 103177659
2-[2-(2-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 22683395
(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
CID 56669742
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 114056631
2-(2-methoxyphenoxy)pyridine-3-sulfonamide
CID 112572908
N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 56665276
2-(2-methoxyphenoxy)-4-methylbenzenecarbothioamide
CID 55057221

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)pyridine-3-carbothioamide?
The IUPAC name of 2-(2-methoxyphenoxy)pyridine-3-carbothioamide (CID 24702703) is 2-(2-methoxyphenoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)pyridine-3-carbothioamide?
The canonical SMILES for 2-(2-methoxyphenoxy)pyridine-3-carbothioamide is COc1ccccc1Oc1ncccc1C(N)=S.
What is the InChIKey of 2-(2-methoxyphenoxy)pyridine-3-carbothioamide?
The InChIKey is RACGHZNGYNAQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-16-10-6-2-3-7-11(10)17-13-9(12(14)18)5-4-8-15-13/h2-8H,1H3,(H2,14,18).
What are the key properties of 2-(2-methoxyphenoxy)pyridine-3-carbothioamide?
2-(2-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 2-(2-methoxyphenoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 24702703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).