6-(2-cyclopentylethylamino)pyridine-2-carbothioamide

C13H19N3S — CID 64588853

IUPAC6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NCCC2CCCC2)n1
InChIInChI=1S/C13H19N3S/c14-13(17)11-6-3-7-12(16-11)15-9-8-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H2,14,17)(H,15,16)
InChIKeyAIVAUCMLHVTABV-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.71
Rot. Bonds5

About 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide

6-(2-cyclopentylethylamino)pyridine-2-carbothioamide (PubChem CID 64588853) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
PubChem CID64588853
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NCCC2CCCC2)n1
InChIInChI=1S/C13H19N3S/c14-13(17)11-6-3-7-12(16-11)15-9-8-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H2,14,17)(H,15,16)
InChIKeyAIVAUCMLHVTABV-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
N-(2-cyclopentylethyl)-6-fluoropyridin-2-amine
CID 61228606
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide
CID 64595865
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carbothioamide
CID 106023912
N-(2-cyclopentylethyl)pyridazin-3-amine
CID 62482015
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide?
The IUPAC name of 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide (CID 64588853) is 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide is NC(=S)c1cccc(NCCC2CCCC2)n1.
What is the InChIKey of 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide?
The InChIKey is AIVAUCMLHVTABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c14-13(17)11-6-3-7-12(16-11)15-9-8-10-4-1-2-5-10/h3,6-7,10H,1-2,4-5,8-9H2,(H2,14,17)(H,15,16).
What are the key properties of 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide?
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide has a molecular weight of 249.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 64588853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).