5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C20H18ClN3S2 — CID 133158132

IUPAC5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(Cl)s2)cc1C
InChIInChI=1S/C20H18ClN3S2/c1-12-6-7-14(11-13(12)2)24-19(16-8-9-17(21)26-16)18(23-20(24)25)15-5-3-4-10-22-15/h3-11,18-19H,1-2H3,(H,23,25)
InChIKeyWTVALPYNEAUPMG-UHFFFAOYSA-N
MW399.97 g/mol
LogP5.59
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133158132) has the molecular formula C20H18ClN3S2 and a molecular weight of 399.97 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133158132
Molecular FormulaC20H18ClN3S2
Molecular Weight399.97 g/mol
Exact Mass399.06
IUPAC Name5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(Cl)s2)cc1C
InChIInChI=1S/C20H18ClN3S2/c1-12-6-7-14(11-13(12)2)24-19(16-8-9-17(21)26-16)18(23-20(24)25)15-5-3-4-10-22-15/h3-11,18-19H,1-2H3,(H,23,25)
InChIKeyWTVALPYNEAUPMG-UHFFFAOYSA-N
XLogP5.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.97
LogP ≤ 55.59
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

N-[4-[(4S,5S)-5-(5-chlorothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]methanesulfonamide
CID 100635334
1-(3-chloro-4-methoxyphenyl)-5-(5-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224433
5-[1-(4-chloro-3-methylphenyl)pyrrol-2-yl]-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158252
N-[2-chloro-4-[5-(5-chlorothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 133243245
1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181017
1-(4-chlorophenyl)-5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182604
(4S,5S)-1-(4-bromo-3-methylphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100504361
1-(3,4-dimethylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158232
5-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183330
5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158267
2-methoxy-N-[2-methyl-4-[(4S,5R)-5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100578646
N-[2-chloro-4-[(4S,5R)-5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100547285

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133158132) is 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(Cl)s2)cc1C.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is WTVALPYNEAUPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3S2/c1-12-6-7-14(11-13(12)2)24-19(16-8-9-17(21)26-16)18(23-20(24)25)15-5-3-4-10-22-15/h3-11,18-19H,1-2H3,(H,23,25).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 399.97 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133158132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).