N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C24H19FN4O3S2 — CID 24555292

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 24555292) has the molecular formula C24H19FN4O3S2 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• PubChem CID: 24555292
• Molecular Formula: C24H19FN4O3S2
• Molecular Weight: 494.57 g/mol
• Exact Mass: 494.09
• IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• SMILES: COc1ccc(OC)c(-c2csc(NC(=O)Cc3csc4nc(-c5ccc(F)cc5)cn34)n2)c1
• InChI: InChI=1S/C24H19FN4O3S2/c1-31-17-7-8-21(32-2)18(10-17)20-13-33-23(26-20)28-22(30)9-16-12-34-24-27-19(11-29(16)24)14-3-5-15(25)6-4-14/h3-8,10-13H,9H2,1-2H3,(H,26,28,30)
• InChIKey: MKMFFRHLFXEBRK-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.57
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 24555292) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is COc1ccc(OC)c(-c2csc(NC(=O)Cc3csc4nc(-c5ccc(F)cc5)cn34)n2)c1.

What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

The InChIKey is MKMFFRHLFXEBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S2/c1-31-17-7-8-21(32-2)18(10-17)20-13-33-23(26-20)28-22(30)9-16-12-34-24-27-19(11-29(16)24)14-3-5-15(25)6-4-14/h3-8,10-13H,9H2,1-2H3,(H,26,28,30).

What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 494.57 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 24555292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).