(4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C25H20BrN3OS2 — CID 100508675

IUPAC(4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)ccc1Br
InChIInChI=1S/C25H20BrN3OS2/c1-16-15-17(10-11-19(16)26)29-24(23(28-25(29)31)20-9-5-6-14-27-20)21-12-13-22(30-21)32-18-7-3-2-4-8-18/h2-15,23-24H,1H3,(H,28,31)/t23-,24+/m1/s1
InChIKeyQMIRBBPFCDHINM-RPWUZVMVSA-N
MW522.49 g/mol
LogP7.07
Rot. Bonds5

About (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

(4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100508675) has the molecular formula C25H20BrN3OS2 and a molecular weight of 522.49 g/mol. Its IUPAC name is (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID100508675
Molecular FormulaC25H20BrN3OS2
Molecular Weight522.49 g/mol
Exact Mass521.02
IUPAC Name(4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)ccc1Br
InChIInChI=1S/C25H20BrN3OS2/c1-16-15-17(10-11-19(16)26)29-24(23(28-25(29)31)20-9-5-6-14-27-20)21-12-13-22(30-21)32-18-7-3-2-4-8-18/h2-15,23-24H,1H3,(H,28,31)/t23-,24+/m1/s1
InChIKeyQMIRBBPFCDHINM-RPWUZVMVSA-N
XLogP7.07
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.49
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-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-(4-bromo-3-methylphenyl)-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100505890
N-[2-methyl-4-[(4S,5S)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100642779
(4S,5S)-5-(5-phenylsulfanylfuran-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100601696
2-[5-[(4S,5R)-3-(4-bromo-3-methylphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 100508980
(4S,5R)-1-(4-cyclopentyloxyphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100608720
N-[2-methoxy-4-[(4S,5R)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100631862
(4S,5R)-5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromo-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100509334
(4S,5R)-1-[3-chloro-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 125079322
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100509218
(4S,5S)-5-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-1-(4-bromo-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100509279
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100509108
1-(4-bromo-3-methylphenyl)-5-[5-(4-ethoxyphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224392

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 100508675) is (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)ccc1Br.
What is the InChIKey of (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is QMIRBBPFCDHINM-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H20BrN3OS2/c1-16-15-17(10-11-19(16)26)29-24(23(28-25(29)31)20-9-5-6-14-27-20)21-12-13-22(30-21)32-18-7-3-2-4-8-18/h2-15,23-24H,1H3,(H,28,31)/t23-,24+/m1/s1.
What are the key properties of (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
(4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 522.49 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-(4-bromo-3-methylphenyl)-5-(5-phenylsulfanylfuran-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100508675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).