1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C20H19N3OS2 — CID 133221634

IUPAC1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCN1C(=S)NC(c2ccccn2)C1c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C20H19N3OS2/c1-2-23-19(18(22-20(23)25)15-10-6-7-13-21-15)16-11-12-17(24-16)26-14-8-4-3-5-9-14/h3-13,18-19H,2H2,1H3,(H,22,25)
InChIKeyCQXIMUKRJZNRQM-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.82
Rot. Bonds5

About 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221634) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221634
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC Name1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCN1C(=S)NC(c2ccccn2)C1c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C20H19N3OS2/c1-2-23-19(18(22-20(23)25)15-10-6-7-13-21-15)16-11-12-17(24-16)26-14-8-4-3-5-9-14/h3-13,18-19H,2H2,1H3,(H,22,25)
InChIKeyCQXIMUKRJZNRQM-UHFFFAOYSA-N
XLogP4.82
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-1-[[(2R)-oxolan-2-yl]methyl]-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 125079774
5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181313
(4S,5S)-5-(5-phenylsulfanylfuran-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100601696
(4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100508675
(4S,5S)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125080234
5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(oxolan-2-ylmethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223652
3-[5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 133208559
(4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100523856
2-methoxy-N-[4-[(4R,5R)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100570945
5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221853
(4S,5R)-1-(4-cyclopentyloxyphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100608720
N-[2-methoxy-4-[5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 133243018

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133221634) is 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is CCN1C(=S)NC(c2ccccn2)C1c1ccc(Sc2ccccc2)o1.
What is the InChIKey of 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is CQXIMUKRJZNRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-2-23-19(18(22-20(23)25)15-10-6-7-13-21-15)16-11-12-17(24-16)26-14-8-4-3-5-9-14/h3-13,18-19H,2H2,1H3,(H,22,25).
What are the key properties of 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 381.53 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).