5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide

C14H19N3OS — CID 55230785

IUPAC5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NCCC2CCCC2)nc1
InChIInChI=1S/C14H19N3OS/c15-13(19)11-5-6-12(17-9-11)14(18)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,15,19)(H,16,18)
InChIKeyZLKTWFQDWDRCLE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.03
Rot. Bonds5

About 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide

5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide (PubChem CID 55230785) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
PubChem CID55230785
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NCCC2CCCC2)nc1
InChIInChI=1S/C14H19N3OS/c15-13(19)11-5-6-12(17-9-11)14(18)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,15,19)(H,16,18)
InChIKeyZLKTWFQDWDRCLE-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.03
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

N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
CID 54932474
2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide
CID 63591386
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-amino-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106006309
5-carbamothioyl-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 63748322
5-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 63828156
N-(cyclopentylmethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005094
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide (CID 55230785) is 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)NCCC2CCCC2)nc1.
What is the InChIKey of 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide?
The InChIKey is ZLKTWFQDWDRCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-13(19)11-5-6-12(17-9-11)14(18)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,15,19)(H,16,18).
What are the key properties of 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide?
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 55230785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).