1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C27H25N3O3S2 — CID 133178180

IUPAC1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(Sc3ccc(C)cc3)o2)c(OC)c1
InChIInChI=1S/C27H25N3O3S2/c1-17-7-10-19(11-8-17)35-24-14-13-22(33-24)26-25(20-6-4-5-15-28-20)29-27(34)30(26)21-12-9-18(31-2)16-23(21)32-3/h4-16,25-26H,1-3H3,(H,29,34)
InChIKeyQVJOAALPICSIOX-UHFFFAOYSA-N
MW503.65 g/mol
LogP6.33
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133178180) has the molecular formula C27H25N3O3S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133178180
Molecular FormulaC27H25N3O3S2
Molecular Weight503.65 g/mol
Exact Mass503.13
IUPAC Name1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(Sc3ccc(C)cc3)o2)c(OC)c1
InChIInChI=1S/C27H25N3O3S2/c1-17-7-10-19(11-8-17)35-24-14-13-22(33-24)26-25(20-6-4-5-15-28-20)29-27(34)30(26)21-12-9-18(31-2)16-23(21)32-3/h4-16,25-26H,1-3H3,(H,29,34)
InChIKeyQVJOAALPICSIOX-UHFFFAOYSA-N
XLogP6.33
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183116
N-[2-methoxy-4-[5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 133207809
N-[2-methoxy-4-[(4S,5R)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100561389
(4R,5S)-1-(4-bromo-3-methylphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100505890
5-[5-[3-(2,4-dimethoxyphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 133178274
(4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100523856
2-methoxy-N-[2-methyl-4-[(4S,5S)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100580054
N-[4-[(4S,5S)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-phenoxyacetamide
CID 100536113
1-(5-chloro-2-hydroxyphenyl)-5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224062
(4S,5S)-5-(5-phenylsulfanylfuran-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100601696
N-[2-methoxy-4-[(4S,5R)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100631862
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-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133178180) is 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is COc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(Sc3ccc(C)cc3)o2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is QVJOAALPICSIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S2/c1-17-7-10-19(11-8-17)35-24-14-13-22(33-24)26-25(20-6-4-5-15-28-20)29-27(34)30(26)21-12-9-18(31-2)16-23(21)32-3/h4-16,25-26H,1-3H3,(H,29,34).
What are the key properties of 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 503.65 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133178180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).