4-(2-cyclopentylethylamino)pyridine-2-carbothioamide

C13H19N3S — CID 62926085

IUPAC4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(NCCC2CCCC2)ccn1
InChIInChI=1S/C13H19N3S/c14-13(17)12-9-11(6-8-16-12)15-7-5-10-3-1-2-4-10/h6,8-10H,1-5,7H2,(H2,14,17)(H,15,16)
InChIKeyYLKXKYZFALTKMM-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.71
Rot. Bonds5

About 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide

4-(2-cyclopentylethylamino)pyridine-2-carbothioamide (PubChem CID 62926085) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
PubChem CID62926085
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1cc(NCCC2CCCC2)ccn1
InChIInChI=1S/C13H19N3S/c14-13(17)12-9-11(6-8-16-12)15-7-5-10-3-1-2-4-10/h6,8-10H,1-5,7H2,(H2,14,17)(H,15,16)
InChIKeyYLKXKYZFALTKMM-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

5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232
4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
CID 81276546
4-(3-cyclopentylpropylamino)-N-methylpyridine-2-carboxamide
CID 106012735
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
2-(3-cyclopentylpropylamino)pyrimidine-4-carbothioamide
CID 106010222
2-[(2-carbamothioyl-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 62924859
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113410632
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
CID 62926454
4-(5-methoxypentylamino)pyridine-2-carbothioamide
CID 114130390

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide?
The IUPAC name of 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide (CID 62926085) is 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide is NC(=S)c1cc(NCCC2CCCC2)ccn1.
What is the InChIKey of 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide?
The InChIKey is YLKXKYZFALTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c14-13(17)12-9-11(6-8-16-12)15-7-5-10-3-1-2-4-10/h6,8-10H,1-5,7H2,(H2,14,17)(H,15,16).
What are the key properties of 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide?
4-(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 4-(2-cyclopentylethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 62926085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).