6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide

C13H19N3OS — CID 64589226

IUPAC6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide
SMILESCCOC1CCN(c2cccc(C(N)=S)n2)CC1
InChIInChI=1S/C13H19N3OS/c1-2-17-10-6-8-16(9-7-10)12-5-3-4-11(15-12)13(14)18/h3-5,10H,2,6-9H2,1H3,(H2,14,18)
InChIKeyYRLZUDNNIHTZSV-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.72
Rot. Bonds4

About 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide

6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide (PubChem CID 64589226) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide
PubChem CID64589226
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide
SMILESCCOC1CCN(c2cccc(C(N)=S)n2)CC1
InChIInChI=1S/C13H19N3OS/c1-2-17-10-6-8-16(9-7-10)12-5-3-4-11(15-12)13(14)18/h3-5,10H,2,6-9H2,1H3,(H2,14,18)
InChIKeyYRLZUDNNIHTZSV-UHFFFAOYSA-N
XLogP1.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide?
The IUPAC name of 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide (CID 64589226) is 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide?
The canonical SMILES for 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide is CCOC1CCN(c2cccc(C(N)=S)n2)CC1.
What is the InChIKey of 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide?
The InChIKey is YRLZUDNNIHTZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-17-10-6-8-16(9-7-10)12-5-3-4-11(15-12)13(14)18/h3-5,10H,2,6-9H2,1H3,(H2,14,18).
What are the key properties of 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide?
6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide has a molecular weight of 265.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxypiperidin-1-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 64589226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).