2-cyclopentyloxypyridine-3-carbothioamide

C11H14N2OS — CID 24707361

IUPAC2-cyclopentyloxypyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1OC1CCCC1
InChIInChI=1S/C11H14N2OS/c12-10(15)9-6-3-7-13-11(9)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,12,15)
InChIKeyTWOUDVGZBDEGPI-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.04
Rot. Bonds3

About 2-cyclopentyloxypyridine-3-carbothioamide

2-cyclopentyloxypyridine-3-carbothioamide (PubChem CID 24707361) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-cyclopentyloxypyridine-3-carbothioamide.

Molecular Properties

Compound Name2-cyclopentyloxypyridine-3-carbothioamide
PubChem CID24707361
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-cyclopentyloxypyridine-3-carbothioamide
SMILESNC(=S)c1cccnc1OC1CCCC1
InChIInChI=1S/C11H14N2OS/c12-10(15)9-6-3-7-13-11(9)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,12,15)
InChIKeyTWOUDVGZBDEGPI-UHFFFAOYSA-N
XLogP2.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopentyloxypyridine-3-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethyloxan-4-yl)oxypyridine-3-carbothioamide
CID 113369171
3-(oxan-4-yloxy)pyridazine-4-carbothioamide
CID 80512432
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
N'-hydroxy-2-(4-methylcyclohexyl)oxypyridine-3-carboximidamide
CID 24699534
(E)-3-(2-cyclopentyloxy-3-pyridinyl)prop-2-enamide
CID 170877006
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808
(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
CID 103695133
(2S)-2-amino-2-(2-cyclopentyloxy-3-pyridinyl)ethanol
CID 131869094
2-cyclopentyloxy-3-propan-2-ylpyridine
CID 164786462
2-cyclohexyloxypyridine-3-carbaldehyde
CID 42553139
3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
CID 80512708

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxypyridine-3-carbothioamide?
The IUPAC name of 2-cyclopentyloxypyridine-3-carbothioamide (CID 24707361) is 2-cyclopentyloxypyridine-3-carbothioamide.
What is the SMILES notation for 2-cyclopentyloxypyridine-3-carbothioamide?
The canonical SMILES for 2-cyclopentyloxypyridine-3-carbothioamide is NC(=S)c1cccnc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxypyridine-3-carbothioamide?
The InChIKey is TWOUDVGZBDEGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c12-10(15)9-6-3-7-13-11(9)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H2,12,15).
What are the key properties of 2-cyclopentyloxypyridine-3-carbothioamide?
2-cyclopentyloxypyridine-3-carbothioamide has a molecular weight of 222.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxypyridine-3-carbothioamide is sourced from PubChem (CID 24707361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).