N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C25H19N5O2S2 — CID 121038694

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 121038694) has the molecular formula C25H19N5O2S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• PubChem CID: 121038694
• Molecular Formula: C25H19N5O2S2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.10
• IUPAC Name: N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• SMILES: COc1ccc(-c2cn3c(CC(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)csc3n2)cc1
• InChI: InChI=1S/C25H19N5O2S2/c1-32-20-8-4-17(5-9-20)22-14-30-19(15-34-25(30)28-22)12-23(31)26-18-6-2-16(3-7-18)21-13-29-10-11-33-24(29)27-21/h2-11,13-15H,12H2,1H3,(H,26,31)
• InChIKey: WXAMNQRYNDYISC-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 72.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 121038694) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

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

The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is COc1ccc(-c2cn3c(CC(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)csc3n2)cc1.

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

The InChIKey is WXAMNQRYNDYISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2S2/c1-32-20-8-4-17(5-9-20)22-14-30-19(15-34-25(30)28-22)12-23(31)26-18-6-2-16(3-7-18)21-13-29-10-11-33-24(29)27-21/h2-11,13-15H,12H2,1H3,(H,26,31).

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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 485.59 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 121038694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).