6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide

C14H14N2O2S — CID 107708868

IUPAC6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(Oc2ccc(CCO)cc2)nc1
InChIInChI=1S/C14H14N2O2S/c15-14(19)11-3-6-13(16-9-11)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8H2,(H2,15,19)
InChIKeyFLBDRJXMDUXORJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.04
Rot. Bonds5

About 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide

6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide (PubChem CID 107708868) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
PubChem CID107708868
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(Oc2ccc(CCO)cc2)nc1
InChIInChI=1S/C14H14N2O2S/c15-14(19)11-3-6-13(16-9-11)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8H2,(H2,15,19)
InChIKeyFLBDRJXMDUXORJ-UHFFFAOYSA-N
XLogP2.04
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-(4-bromo-3-fluorophenoxy)pyridine-3-carbothioamide
CID 65203705
6-(3-bromo-4-fluorophenoxy)pyridine-3-carbothioamide
CID 83231746
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
CID 43352096
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
6-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carbothioamide
CID 64600208
6-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbothioamide
CID 43369949
2-[4-[6-(hydroxymethyl)pyridazin-3-yl]oxyphenyl]ethanol
CID 107709782
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide?
The IUPAC name of 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide (CID 107708868) is 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide?
The canonical SMILES for 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide is NC(=S)c1ccc(Oc2ccc(CCO)cc2)nc1.
What is the InChIKey of 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide?
The InChIKey is FLBDRJXMDUXORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-14(19)11-3-6-13(16-9-11)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8H2,(H2,15,19).
What are the key properties of 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide?
6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide has a molecular weight of 274.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide is sourced from PubChem (CID 107708868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).