N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C22H19Cl2F3N4OS — CID 22199136

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 22199136) has the molecular formula C22H19Cl2F3N4OS and a molecular weight of 515.39 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
• PubChem CID: 22199136
• Molecular Formula: C22H19Cl2F3N4OS
• Molecular Weight: 515.39 g/mol
• Exact Mass: 514.06
• IUPAC Name: N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
• SMILES: O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
• InChI: InChI=1S/C22H19Cl2F3N4OS/c23-15-4-5-17(18(24)11-15)19-13-33-21(28-19)29-20(32)12-30-6-8-31(9-7-30)16-3-1-2-14(10-16)22(25,26)27/h1-5,10-11,13H,6-9,12H2,(H,28,29,32)
• InChIKey: UUMWGSFHKAQYHU-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.39
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?

The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 22199136) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.

What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?

The InChIKey is UUMWGSFHKAQYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F3N4OS/c23-15-4-5-17(18(24)11-15)19-13-33-21(28-19)29-20(32)12-30-6-8-31(9-7-30)16-3-1-2-14(10-16)22(25,26)27/h1-5,10-11,13H,6-9,12H2,(H,28,29,32).

What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 515.39 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 22199136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).