5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione

C20H26N4S — CID 133222002

IUPAC5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1ccn(C2CCCC2)c1
InChIInChI=1S/C20H26N4S/c1-2-12-24-19(15-10-13-23(14-15)16-7-3-4-8-16)18(22-20(24)25)17-9-5-6-11-21-17/h5-6,9-11,13-14,16,18-19H,2-4,7-8,12H2,1H3,(H,22,25)
InChIKeyJBZANHJFJUXWDT-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.38
Rot. Bonds5

About 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione

5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222002) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222002
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Name5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1ccn(C2CCCC2)c1
InChIInChI=1S/C20H26N4S/c1-2-12-24-19(15-10-13-23(14-15)16-7-3-4-8-16)18(22-20(24)25)17-9-5-6-11-21-17/h5-6,9-11,13-14,16,18-19H,2-4,7-8,12H2,1H3,(H,22,25)
InChIKeyJBZANHJFJUXWDT-UHFFFAOYSA-N
XLogP4.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-cyclopentylpyrrol-3-yl)-1-ethyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221663
1-(3-anilinopropyl)-5-(1-cyclohexylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133242172
(4R,5S)-1-cyclopentyl-5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100527705
3-[(4R,5R)-5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-methylphenyl)propanamide
CID 100686250
5-(1-cyclohexylpyrrol-3-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158686
5-(1-cyclohexylpyrrol-3-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221834
3-[(4S,5S)-5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 100701190
3-[5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 133197844
3-[(4R,5R)-5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 100707490
3-[5-(1-cyclopentylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 133209227
5-(1-cyclopentylpyrrol-3-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133244091
5-(1-cyclohexylpyrrol-3-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224247

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133222002) is 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is CCCN1C(=S)NC(c2ccccn2)C1c1ccn(C2CCCC2)c1.
What is the InChIKey of 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is JBZANHJFJUXWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S/c1-2-12-24-19(15-10-13-23(14-15)16-7-3-4-8-16)18(22-20(24)25)17-9-5-6-11-21-17/h5-6,9-11,13-14,16,18-19H,2-4,7-8,12H2,1H3,(H,22,25).
What are the key properties of 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 354.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopentylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).