5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C23H23FN4S — CID 133180533

About 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 133180533) has the molecular formula C23H23FN4S and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• PubChem CID: 133180533
• Molecular Formula: C23H23FN4S
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.16
• IUPAC Name: 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
• SMILES: Cc1cc(C2C(c3ccccn3)N=C3SC(C)CN32)c(C)n1-c1ccc(F)cc1
• InChI: InChI=1S/C23H23FN4S/c1-14-12-19(16(3)28(14)18-9-7-17(24)8-10-18)22-21(20-6-4-5-11-25-20)26-23-27(22)13-15(2)29-23/h4-12,15,21-22H,13H2,1-3H3
• InChIKey: DBJXPRWGCJHYNF-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 33.42 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The IUPAC name of 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 133180533) is 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The canonical SMILES for 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is Cc1cc(C2C(c3ccccn3)N=C3SC(C)CN32)c(C)n1-c1ccc(F)cc1.

What is the InChIKey of 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

The InChIKey is DBJXPRWGCJHYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4S/c1-14-12-19(16(3)28(14)18-9-7-17(24)8-10-18)22-21(20-6-4-5-11-25-20)26-23-27(22)13-15(2)29-23/h4-12,15,21-22H,13H2,1-3H3.

What are the key properties of 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?

5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 406.53 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 133180533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).