(4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C21H22N4OS — CID 100528346

IUPAC(4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1CCCNc1ccccc1
InChIInChI=1S/C21H22N4OS/c27-21-24-19(17-10-4-5-12-23-17)20(18-11-6-15-26-18)25(21)14-7-13-22-16-8-2-1-3-9-16/h1-6,8-12,15,19-20,22H,7,13-14H2,(H,24,27)/t19-,20-/m0/s1
InChIKeySWBUZKFUYRLNTK-PMACEKPBSA-N
MW378.50 g/mol
LogP4.15
Rot. Bonds7

About (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

(4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100528346) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID100528346
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name(4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1CCCNc1ccccc1
InChIInChI=1S/C21H22N4OS/c27-21-24-19(17-10-4-5-12-23-17)20(18-11-6-15-26-18)25(21)14-7-13-22-16-8-2-1-3-9-16/h1-6,8-12,15,19-20,22H,7,13-14H2,(H,24,27)/t19-,20-/m0/s1
InChIKeySWBUZKFUYRLNTK-PMACEKPBSA-N
XLogP4.15
TPSA53.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-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

(4R,5S)-1-(3-anilinopropyl)-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100529801
(4S,5S)-1-(3-anilinopropyl)-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 100528642
(4R,5S)-1-(3-anilinopropyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100528402
(4R,5S)-1-(3-anilinopropyl)-5-(4-iodo-2,5-dimethyl-1H-pyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100528883
(4S,5R)-1-(3-anilinopropyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100533279
1-(3-anilinopropyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133242155
2-[5-[(4R,5S)-3-(3-anilinopropyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 100533146
(4R,5S)-1-(3-anilinopropyl)-5-[5-(2,3-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100533253
N-(4-fluorophenyl)-3-[(4S,5R)-5-(furan-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100686921
5-[5-[(4R,5S)-3-(3-anilinopropyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 100533376
(4R,5S)-1-(3-anilinopropyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
CID 100530011
(4S,5R)-1-(3-anilinopropyl)-5-[5-(2-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100533068

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 100528346) is (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1CCCNc1ccccc1.
What is the InChIKey of (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is SWBUZKFUYRLNTK-PMACEKPBSA-N. The full InChI is InChI=1S/C21H22N4OS/c27-21-24-19(17-10-4-5-12-23-17)20(18-11-6-15-26-18)25(21)14-7-13-22-16-8-2-1-3-9-16/h1-6,8-12,15,19-20,22H,7,13-14H2,(H,24,27)/t19-,20-/m0/s1.
What are the key properties of (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
(4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 378.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-(3-anilinopropyl)-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100528346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).