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

C24H23N5OS2 — CID 133183013

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

5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183013) has the molecular formula C24H23N5OS2 and a molecular weight of 461.62 g/mol. Its IUPAC name is 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

• Compound Name: 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
• PubChem CID: 133183013
• Molecular Formula: C24H23N5OS2
• Molecular Weight: 461.62 g/mol
• Exact Mass: 461.13
• IUPAC Name: 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
• SMILES: COc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2nccs2)c1C
• InChI: InChI=1S/C24H23N5OS2/c1-15-14-17(16(2)28(15)24-26-12-13-32-24)22-21(18-8-6-7-11-25-18)27-23(31)29(22)19-9-4-5-10-20(19)30-3/h4-14,21-22H,1-3H3,(H,27,31)
• InChIKey: ISJPAUINVQYOOF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 55.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.62
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The IUPAC name of 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133183013) is 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-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-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?

The canonical SMILES for 5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is COc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2nccs2)c1C.

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

The InChIKey is ISJPAUINVQYOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS2/c1-15-14-17(16(2)28(15)24-26-12-13-32-24)22-21(18-8-6-7-11-25-18)27-23(31)29(22)19-9-4-5-10-20(19)30-3/h4-14,21-22H,1-3H3,(H,27,31).

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

5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 461.62 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).