2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide

C13H18N2O2S — CID 113369171

IUPAC2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide
SMILESCC1CC(Oc2ncccc2C(N)=S)CC(C)O1
InChIInChI=1S/C13H18N2O2S/c1-8-6-10(7-9(2)16-8)17-13-11(12(14)18)4-3-5-15-13/h3-5,8-10H,6-7H2,1-2H3,(H2,14,18)
InChIKeyGOSCPYHODWGPDR-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.05
Rot. Bonds3

About 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide

2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide (PubChem CID 113369171) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide
PubChem CID113369171
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide
SMILESCC1CC(Oc2ncccc2C(N)=S)CC(C)O1
InChIInChI=1S/C13H18N2O2S/c1-8-6-10(7-9(2)16-8)17-13-11(12(14)18)4-3-5-15-13/h3-5,8-10H,6-7H2,1-2H3,(H2,14,18)
InChIKeyGOSCPYHODWGPDR-UHFFFAOYSA-N
XLogP2.05
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.05
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

2-cyclopentyloxypyridine-3-carbothioamide
CID 24707361
(1R)-1-[2-(2,6-dimethyloxan-4-yl)oxy-3-pyridinyl]ethanamine
CID 114056769
2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carbothioamide
CID 24693283
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
2-(2-methoxyphenoxy)pyridine-3-carbothioamide
CID 24702703
2-(2-methylpropoxy)pyridine-3-carbothioamide
CID 24705507
N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
CID 24699534
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808
3-(oxan-4-yloxy)pyridazine-4-carbothioamide
CID 80512432
ethyl 2-(azetidin-3-yloxy)pyridine-3-carboxylate
CID 63105364
3-bromo-2-(3-methylcyclobutyl)oxypyridine
CID 122580795
2-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 71145261

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide (CID 113369171) is 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide is CC1CC(Oc2ncccc2C(N)=S)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide?
The InChIKey is GOSCPYHODWGPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-6-10(7-9(2)16-8)17-13-11(12(14)18)4-3-5-15-13/h3-5,8-10H,6-7H2,1-2H3,(H2,14,18).
What are the key properties of 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide?
2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide has a molecular weight of 266.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide is sourced from PubChem (CID 113369171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).