(4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C24H25N3OS2 — CID 100523856

About (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

(4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100523856) has the molecular formula C24H25N3OS2 and a molecular weight of 435.62 g/mol. Its IUPAC name is (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 100523856
• Molecular Formula: C24H25N3OS2
• Molecular Weight: 435.62 g/mol
• Exact Mass: 435.14
• IUPAC Name: (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1
• InChI: InChI=1S/C24H25N3OS2/c1-16-9-11-18(12-10-16)30-21-14-13-20(28-21)23-22(19-8-4-5-15-25-19)26-24(29)27(23)17-6-2-3-7-17/h4-5,8-15,17,22-23H,2-3,6-7H2,1H3,(H,26,29)/t22-,23-/m1/s1
• InChIKey: OWLBNRJBHXROAS-DHIUTWEWSA-N
• XLogP: 6.05
• TPSA: 41.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.62
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 100523856) is (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1.

What is the InChIKey of (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is OWLBNRJBHXROAS-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H25N3OS2/c1-16-9-11-18(12-10-16)30-21-14-13-20(28-21)23-22(19-8-4-5-15-25-19)26-24(29)27(23)17-6-2-3-7-17/h4-5,8-15,17,22-23H,2-3,6-7H2,1H3,(H,26,29)/t22-,23-/m1/s1.

What are the key properties of (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?

(4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 435.62 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-1-cyclopentyl-5-[5-(4-methylphenyl)sulfanylfuran-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100523856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).