2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide

C13H19N3OS — CID 54990298

IUPAC2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide
SMILESCCOC1CCCN(c2cc(C(N)=S)ccn2)C1
InChIInChI=1S/C13H19N3OS/c1-2-17-11-4-3-7-16(9-11)12-8-10(13(14)18)5-6-15-12/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,18)
InChIKeyXLLDOFITMKJTIJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.72
Rot. Bonds4

About 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide

2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide (PubChem CID 54990298) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide
PubChem CID54990298
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide
SMILESCCOC1CCCN(c2cc(C(N)=S)ccn2)C1
InChIInChI=1S/C13H19N3OS/c1-2-17-11-4-3-7-16(9-11)12-8-10(13(14)18)5-6-15-12/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,18)
InChIKeyXLLDOFITMKJTIJ-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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Related Compounds

2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
N-[[2-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289099
2-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carbothioamide
CID 82696518
[6-(3-ethoxypiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80905232
2-(3-ethoxypiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107928760
4-chloro-2-(3-ethoxypiperidin-1-yl)benzenecarbothioamide
CID 63093328
2-(3-ethoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550313
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 113367668
5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
CID 114919432
[(3R)-3-ethoxypiperidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 95582872
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide (CID 54990298) is 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide is CCOC1CCCN(c2cc(C(N)=S)ccn2)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide?
The InChIKey is XLLDOFITMKJTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-17-11-4-3-7-16(9-11)12-8-10(13(14)18)5-6-15-12/h5-6,8,11H,2-4,7,9H2,1H3,(H2,14,18).
What are the key properties of 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide?
2-(3-ethoxypiperidin-1-yl)pyridine-4-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 2-(3-ethoxypiperidin-1-yl)pyridine-4-carbothioamide is sourced from PubChem (CID 54990298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).