2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C19H16Cl2N2O3S — CID 23799625

About 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 23799625) has the molecular formula C19H16Cl2N2O3S and a molecular weight of 423.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 23799625
• Molecular Formula: C19H16Cl2N2O3S
• Molecular Weight: 423.32 g/mol
• Exact Mass: 422.03
• IUPAC Name: 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: COc1ccc(Cc2cnc(NC(=O)COc3cc(Cl)ccc3Cl)s2)cc1
• InChI: InChI=1S/C19H16Cl2N2O3S/c1-25-14-5-2-12(3-6-14)8-15-10-22-19(27-15)23-18(24)11-26-17-9-13(20)4-7-16(17)21/h2-7,9-10H,8,11H2,1H3,(H,22,23,24)
• InChIKey: JAAVMGRKKFDGMA-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.32
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 23799625) is 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide is COc1ccc(Cc2cnc(NC(=O)COc3cc(Cl)ccc3Cl)s2)cc1.

What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is JAAVMGRKKFDGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S/c1-25-14-5-2-12(3-6-14)8-15-10-22-19(27-15)23-18(24)11-26-17-9-13(20)4-7-16(17)21/h2-7,9-10H,8,11H2,1H3,(H,22,23,24).

What are the key properties of 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 423.32 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 23799625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).