6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium

C24H17F2N4S2+ — CID 164581302

About 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium

6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium (PubChem CID 164581302) has the molecular formula C24H17F2N4S2+ and a molecular weight of 463.56 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium
• PubChem CID: 164581302
• Molecular Formula: C24H17F2N4S2+
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.09
• IUPAC Name: 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium
• SMILES: Cc1c(-c2ccc(F)cc2)[n+](Cc2c(-c3cccc(F)c3)nc3sccn23)c2sccn12
• InChI: InChI=1S/C24H17F2N4S2/c1-15-22(16-5-7-18(25)8-6-16)30(24-28(15)9-12-32-24)14-20-21(17-3-2-4-19(26)13-17)27-23-29(20)10-11-31-23/h2-13H,14H2,1H3/q+1
• InChIKey: XETGNECYPPRUHQ-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 25.59 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium?

The IUPAC name of 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium (CID 164581302) is 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium.

What is the SMILES notation for 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium?

The canonical SMILES for 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium is Cc1c(-c2ccc(F)cc2)[n+](Cc2c(-c3cccc(F)c3)nc3sccn23)c2sccn12.

What is the InChIKey of 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium?

The InChIKey is XETGNECYPPRUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N4S2/c1-15-22(16-5-7-18(25)8-6-16)30(24-28(15)9-12-32-24)14-20-21(17-3-2-4-19(26)13-17)27-23-29(20)10-11-31-23/h2-13H,14H2,1H3/q+1.

What are the key properties of 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium?

6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium has a molecular weight of 463.56 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-7-[[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-5-methylimidazo[2,1-b][1,3]thiazol-7-ium is sourced from PubChem (CID 164581302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).