5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione

C16H19N3OS — CID 133221853

IUPAC5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1ccc(C)o1
InChIInChI=1S/C16H19N3OS/c1-3-10-19-15(13-8-7-11(2)20-13)14(18-16(19)21)12-6-4-5-9-17-12/h4-9,14-15H,3,10H2,1-2H3,(H,18,21)
InChIKeyOKZJLQSBZRSVLY-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.37
Rot. Bonds4

About 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione

5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221853) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221853
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1ccc(C)o1
InChIInChI=1S/C16H19N3OS/c1-3-10-19-15(13-8-7-11(2)20-13)14(18-16(19)21)12-6-4-5-9-17-12/h4-9,14-15H,3,10H2,1-2H3,(H,18,21)
InChIKeyOKZJLQSBZRSVLY-UHFFFAOYSA-N
XLogP3.37
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-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

5-(5-methylfuran-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181700
methyl 3-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanoate
CID 133155599
2-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100655295
5-[5-(3-chloro-4-methylphenyl)furan-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222000
5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221768
3-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 133197692
3-[5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(3-methylphenyl)propanamide
CID 133209126
N-(2,5-dimethylphenyl)-3-[(4R,5R)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100701951
5-(5-methyl-1H-pyrrol-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222005
1-[2-(dimethylamino)ethyl]-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223488
1-ethyl-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133221634
1-benzyl-5-[5-(4-ethoxyphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181146

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221853) is 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is CCCN1C(=S)NC(c2ccccn2)C1c1ccc(C)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is OKZJLQSBZRSVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-10-19-15(13-8-7-11(2)20-13)14(18-16(19)21)12-6-4-5-9-17-12/h4-9,14-15H,3,10H2,1-2H3,(H,18,21).
What are the key properties of 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 301.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).