1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C22H23FN4OS — CID 133223488

IUPAC1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN(C)CCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H23FN4OS/c1-26(2)13-14-27-21(20(25-22(27)29)17-5-3-4-12-24-17)19-11-10-18(28-19)15-6-8-16(23)9-7-15/h3-12,20-21H,13-14H2,1-2H3,(H,25,29)
InChIKeyUPQSLZJURPDHBY-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.01
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223488) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133223488
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC Name1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN(C)CCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H23FN4OS/c1-26(2)13-14-27-21(20(25-22(27)29)17-5-3-4-12-24-17)19-11-10-18(28-19)15-6-8-16(23)9-7-15/h3-12,20-21H,13-14H2,1-2H3,(H,25,29)
InChIKeyUPQSLZJURPDHBY-UHFFFAOYSA-N
XLogP4.01
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.01
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

5-[5-(4-fluorophenyl)furan-2-yl]-1-(3-methoxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222647
methyl 4-[5-[3-[2-(dimethylamino)ethyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoate
CID 133223524
N-(4-fluorophenyl)-3-[(4R,5S)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100692797
5-[5-(4-fluorophenyl)furan-2-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181315
3-[(4R,5R)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100669964
3-[5-[3-[2-(dimethylamino)ethyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 133223494
N-(2-ethylphenyl)-3-[(4S,5R)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100677852
N-(2-ethylphenyl)-3-[(4S,5S)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100677873
3-[5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 133208868
3-[(4S,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100692837
3-[(4R,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100692876
1-cyclohexyl-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133223488) is 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is CN(C)CCN1C(=S)NC(c2ccccn2)C1c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is UPQSLZJURPDHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-26(2)13-14-27-21(20(25-22(27)29)17-5-3-4-12-24-17)19-11-10-18(28-19)15-6-8-16(23)9-7-15/h3-12,20-21H,13-14H2,1-2H3,(H,25,29).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 410.52 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).