1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione

C20H19N3OS2 — CID 133181185

IUPAC1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
SMILESCOc1ccc(CN2C(=S)NC(c3ccccn3)C2c2cccs2)cc1
InChIInChI=1S/C20H19N3OS2/c1-24-15-9-7-14(8-10-15)13-23-19(17-6-4-12-26-17)18(22-20(23)25)16-5-2-3-11-21-16/h2-12,18-19H,13H2,1H3,(H,22,25)
InChIKeyFFXMFWGJIUPBFM-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.32
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione

1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione (PubChem CID 133181185) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
PubChem CID133181185
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
SMILESCOc1ccc(CN2C(=S)NC(c3ccccn3)C2c2cccs2)cc1
InChIInChI=1S/C20H19N3OS2/c1-24-15-9-7-14(8-10-15)13-23-19(17-6-4-12-26-17)18(22-20(23)25)16-5-2-3-11-21-16/h2-12,18-19H,13H2,1H3,(H,22,25)
InChIKeyFFXMFWGJIUPBFM-UHFFFAOYSA-N
XLogP4.32
TPSA37.39 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione
CID 133181528
1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133155936
1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181341
1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133181311
methyl 4-(4-pyridin-2-yl-2-sulfanylidene-5-thiophen-2-ylimidazolidin-1-yl)butanoate
CID 133155440
1-[(4-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181291
5-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181258
5-[5-(4-fluorophenyl)furan-2-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181315
5-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181313
(4R,5R)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100596502
1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181223
1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181019

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione (CID 133181185) is 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione is COc1ccc(CN2C(=S)NC(c3ccccn3)C2c2cccs2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
The InChIKey is FFXMFWGJIUPBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-24-15-9-7-14(8-10-15)13-23-19(17-6-4-12-26-17)18(22-20(23)25)16-5-2-3-11-21-16/h2-12,18-19H,13H2,1H3,(H,22,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione?
1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione has a molecular weight of 381.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133181185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).