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

C21H17ClFN3O2S — CID 24554970

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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 24554970) has the molecular formula C21H17ClFN3O2S and a molecular weight of 429.90 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• PubChem CID: 24554970
• Molecular Formula: C21H17ClFN3O2S
• Molecular Weight: 429.90 g/mol
• Exact Mass: 429.07
• IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• SMILES: COc1cc(Cl)c(C)cc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12
• InChI: InChI=1S/C21H17ClFN3O2S/c1-12-7-17(19(28-2)9-16(12)22)24-20(27)8-15-11-29-21-25-18(10-26(15)21)13-3-5-14(23)6-4-13/h3-7,9-11H,8H2,1-2H3,(H,24,27)
• InChIKey: SBQMVHPMFUGSRC-UHFFFAOYSA-N
• XLogP: 5.35
• 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	429.90
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 24554970) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

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

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12.

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

The InChIKey is SBQMVHPMFUGSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2S/c1-12-7-17(19(28-2)9-16(12)22)24-20(27)8-15-11-29-21-25-18(10-26(15)21)13-3-5-14(23)6-4-13/h3-7,9-11H,8H2,1-2H3,(H,24,27).

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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 429.90 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 24554970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).