2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide

C21H21ClN2O2S — CID 18231102

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide (PubChem CID 18231102) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
• PubChem CID: 18231102
• Molecular Formula: C21H21ClN2O2S
• Molecular Weight: 400.93 g/mol
• Exact Mass: 400.10
• IUPAC Name: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
• SMILES: CCCc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1
• InChI: InChI=1S/C21H21ClN2O2S/c1-2-3-15-4-8-17(9-5-15)23-20(25)12-18-14-27-21(24-18)13-26-19-10-6-16(22)7-11-19/h4-11,14H,2-3,12-13H2,1H3,(H,23,25)
• InChIKey: YRVJMOPQQALICH-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.93
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide (CID 18231102) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide.

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

The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1.

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

The InChIKey is YRVJMOPQQALICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-2-3-15-4-8-17(9-5-15)23-20(25)12-18-14-27-21(24-18)13-26-19-10-6-16(22)7-11-19/h4-11,14H,2-3,12-13H2,1H3,(H,23,25).

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

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide has a molecular weight of 400.93 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 18231102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).