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

C23H23ClN2O2S — CID 55478764

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

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (PubChem CID 55478764) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
• PubChem CID: 55478764
• Molecular Formula: C23H23ClN2O2S
• Molecular Weight: 426.97 g/mol
• Exact Mass: 426.12
• IUPAC Name: 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
• SMILES: Cc1ccc(C(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C2CC2)cc1
• InChI: InChI=1S/C23H23ClN2O2S/c1-15-2-4-16(5-3-15)23(17-6-7-17)26-21(27)12-19-14-29-22(25-19)13-28-20-10-8-18(24)9-11-20/h2-5,8-11,14,17,23H,6-7,12-13H2,1H3,(H,26,27)
• InChIKey: OFZLFTNMIPGUNL-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.97
LogP ≤ 5	5.49
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-[cyclopropyl-(4-methylphenyl)methyl]acetamide?

The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (CID 55478764) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.

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

The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is Cc1ccc(C(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C2CC2)cc1.

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

The InChIKey is OFZLFTNMIPGUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c1-15-2-4-16(5-3-15)23(17-6-7-17)26-21(27)12-19-14-29-22(25-19)13-28-20-10-8-18(24)9-11-20/h2-5,8-11,14,17,23H,6-7,12-13H2,1H3,(H,26,27).

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

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide has a molecular weight of 426.97 g/mol, XLogP of 5.49, 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-[cyclopropyl-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 55478764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).