5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C19H17N3O2S — CID 133155934

IUPAC5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccco2)cc1
InChIInChI=1S/C19H17N3O2S/c1-23-14-9-7-13(8-10-14)22-18(16-6-4-12-24-16)17(21-19(22)25)15-5-2-3-11-20-15/h2-12,17-18H,1H3,(H,21,25)
InChIKeyANDWLOCCMGOCDP-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.86
Rot. Bonds4

About 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133155934) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133155934
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccco2)cc1
InChIInChI=1S/C19H17N3O2S/c1-23-14-9-7-13(8-10-14)22-18(16-6-4-12-24-16)17(21-19(22)25)15-5-2-3-11-20-15/h2-12,17-18H,1H3,(H,21,25)
InChIKeyANDWLOCCMGOCDP-UHFFFAOYSA-N
XLogP3.86
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.86
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

N-[4-[(4S,5R)-5-(furan-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100610572
N-[4-[(4R,5R)-5-(furan-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 100566083
1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133155936
5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(4-methoxyphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183970
(4S,5S)-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100516247
N-[4-[(4S,5S)-5-(furan-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]methanesulfonamide
CID 100634993
(4R,5S)-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100516239
N-[2-chloro-4-[(4R,5R)-5-(furan-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 100572551
5-[5-[3-(4-methoxyphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 133156074
1-(4-methoxyphenyl)-5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156007
2-[5-[3-[4-(4-methoxyphenoxy)phenyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 133183975
5-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133155989

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133155934) is 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is COc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is ANDWLOCCMGOCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-23-14-9-7-13(8-10-14)22-18(16-6-4-12-24-16)17(21-19(22)25)15-5-2-3-11-20-15/h2-12,17-18H,1H3,(H,21,25).
What are the key properties of 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 351.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133155934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).