5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C24H22FN5S2 — CID 133224117

About 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133224117) has the molecular formula C24H22FN5S2 and a molecular weight of 463.61 g/mol. Its IUPAC name is 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133224117
• Molecular Formula: C24H22FN5S2
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.13
• IUPAC Name: 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: Cc1cc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-c3nccs3)c2C)ccc1F
• InChI: InChI=1S/C24H22FN5S2/c1-14-12-17(7-8-19(14)25)30-22(21(28-23(30)31)20-6-4-5-9-26-20)18-13-15(2)29(16(18)3)24-27-10-11-32-24/h4-13,21-22H,1-3H3,(H,28,31)
• InChIKey: QGPGZOXILAUTQZ-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133224117) is 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

What is the SMILES notation for 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-c3nccs3)c2C)ccc1F.

What is the InChIKey of 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The InChIKey is QGPGZOXILAUTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5S2/c1-14-12-17(7-8-19(14)25)30-22(21(28-23(30)31)20-6-4-5-9-26-20)18-13-15(2)29(16(18)3)24-27-10-11-32-24/h4-13,21-22H,1-3H3,(H,28,31).

What are the key properties of 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 463.61 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133224117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).