5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide

C13H19N3S2 — CID 114121610

IUPAC5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
SMILESCCSC1CCCC1Nc1ccc(C(N)=S)nc1
InChIInChI=1S/C13H19N3S2/c1-2-18-12-5-3-4-10(12)16-9-6-7-11(13(14)17)15-8-9/h6-8,10,12,16H,2-5H2,1H3,(H2,14,17)
InChIKeyNCSLOVMWLWKCNT-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.80
Rot. Bonds5

About 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide

5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide (PubChem CID 114121610) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
PubChem CID114121610
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC Name5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
SMILESCCSC1CCCC1Nc1ccc(C(N)=S)nc1
InChIInChI=1S/C13H19N3S2/c1-2-18-12-5-3-4-10(12)16-9-6-7-11(13(14)17)15-8-9/h6-8,10,12,16H,2-5H2,1H3,(H2,14,17)
InChIKeyNCSLOVMWLWKCNT-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide
CID 115488600
5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
CID 115488665
5-(cyclopropylamino)pyridine-2-carbothioamide
CID 115488040
5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide
CID 115488674
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841
5-[(2-methylsulfanylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 114123524
5-[(2-methylsulfanylcyclopentyl)amino]pyrazine-2-carbothioamide
CID 114121592
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
CID 114122049
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450
3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine
CID 114121331
5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 115490737

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide (CID 114121610) is 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide is CCSC1CCCC1Nc1ccc(C(N)=S)nc1.
What is the InChIKey of 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide?
The InChIKey is NCSLOVMWLWKCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-2-18-12-5-3-4-10(12)16-9-6-7-11(13(14)17)15-8-9/h6-8,10,12,16H,2-5H2,1H3,(H2,14,17).
What are the key properties of 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide?
5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide has a molecular weight of 281.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 114121610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).