N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide

C20H18Cl2N2O3S — CID 18836184

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 18836184) has the molecular formula C20H18Cl2N2O3S and a molecular weight of 437.35 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
• PubChem CID: 18836184
• Molecular Formula: C20H18Cl2N2O3S
• Molecular Weight: 437.35 g/mol
• Exact Mass: 436.04
• IUPAC Name: N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
• SMILES: CCOc1ccccc1OCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
• InChI: InChI=1S/C20H18Cl2N2O3S/c1-2-26-17-5-3-4-6-18(17)27-12-19(25)24-20-23-11-15(28-20)10-13-9-14(21)7-8-16(13)22/h3-9,11H,2,10,12H2,1H3,(H,23,24,25)
• InChIKey: ZPYKNCDZZCRBCE-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.35
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?

The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide (CID 18836184) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide.

What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?

The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1.

What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?

The InChIKey is ZPYKNCDZZCRBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3S/c1-2-26-17-5-3-4-6-18(17)27-12-19(25)24-20-23-11-15(28-20)10-13-9-14(21)7-8-16(13)22/h3-9,11H,2,10,12H2,1H3,(H,23,24,25).

What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 437.35 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 18836184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).