N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C22H20ClN3O2S — CID 53122753

About N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 53122753) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• PubChem CID: 53122753
• Molecular Formula: C22H20ClN3O2S
• Molecular Weight: 425.94 g/mol
• Exact Mass: 425.10
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)Cc1csc2nc(-c3ccc(C)c(C)c3)cn12
• InChI: InChI=1S/C22H20ClN3O2S/c1-13-4-5-15(8-14(13)2)19-11-26-17(12-29-22(26)25-19)10-21(27)24-18-9-16(23)6-7-20(18)28-3/h4-9,11-12H,10H2,1-3H3,(H,24,27)
• InChIKey: BQPPACVURFORCF-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.94
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 53122753) is N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

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

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cc1csc2nc(-c3ccc(C)c(C)c3)cn12.

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

The InChIKey is BQPPACVURFORCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-13-4-5-15(8-14(13)2)19-11-26-17(12-29-22(26)25-19)10-21(27)24-18-9-16(23)6-7-20(18)28-3/h4-9,11-12H,10H2,1-3H3,(H,24,27).

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

N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 425.94 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 53122753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).