2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide

C18H18Cl3N3O2S — CID 42793108

About 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide

2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide (PubChem CID 42793108) has the molecular formula C18H18Cl3N3O2S and a molecular weight of 446.79 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide
• PubChem CID: 42793108
• Molecular Formula: C18H18Cl3N3O2S
• Molecular Weight: 446.79 g/mol
• Exact Mass: 445.02
• IUPAC Name: 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide
• SMILES: COCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)C(Cl)Cl
• InChI: InChI=1S/C18H18Cl3N3O2S/c1-26-9-8-23(17(25)16(20)21)7-6-14-11-27-18-22-15(10-24(14)18)12-2-4-13(19)5-3-12/h2-5,10-11,16H,6-9H2,1H3
• InChIKey: CZDLCJMEXJMSRY-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.79
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide (CID 42793108) is 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide.

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

The canonical SMILES for 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide is COCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)C(Cl)Cl.

What is the InChIKey of 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide?

The InChIKey is CZDLCJMEXJMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N3O2S/c1-26-9-8-23(17(25)16(20)21)7-6-14-11-27-18-22-15(10-24(14)18)12-2-4-13(19)5-3-12/h2-5,10-11,16H,6-9H2,1H3.

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

2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 446.79 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42793108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).