6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide

C11H14N2O2S — CID 24702377

IUPAC6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(OCC2CCCO2)nc1
InChIInChI=1S/C11H14N2O2S/c12-11(16)8-3-4-10(13-6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7H2,(H2,12,16)
InChIKeyBHEHRIATBUQTKT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.27
Rot. Bonds4

About 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide

6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide (PubChem CID 24702377) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide
PubChem CID24702377
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(OCC2CCCO2)nc1
InChIInChI=1S/C11H14N2O2S/c12-11(16)8-3-4-10(13-6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7H2,(H2,12,16)
InChIKeyBHEHRIATBUQTKT-UHFFFAOYSA-N
XLogP1.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.27
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,N-dimethyl-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017281
[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methanol
CID 61255283
[6-(oxolan-2-ylmethoxy)pyridazin-3-yl]methanol
CID 61255499
6-[[(2S)-oxolan-2-yl]methoxy]-N-pyridin-2-ylpyridine-3-carboxamide
CID 124892848
6-[[(2S)-oxolan-2-yl]methoxy]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 124725193
N-(4-methylpiperazin-1-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
CID 124892168
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
N-(2-ethylphenyl)-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 119100066
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 55058917

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide?
The IUPAC name of 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide (CID 24702377) is 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide.
What is the SMILES notation for 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide?
The canonical SMILES for 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide is NC(=S)c1ccc(OCC2CCCO2)nc1.
What is the InChIKey of 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide?
The InChIKey is BHEHRIATBUQTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c12-11(16)8-3-4-10(13-6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7H2,(H2,12,16).
What are the key properties of 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide?
6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide has a molecular weight of 238.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethoxy)pyridine-3-carbothioamide is sourced from PubChem (CID 24702377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).