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

C21H25F3N4O2S — CID 55516393

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

N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide (PubChem CID 55516393) has the molecular formula C21H25F3N4O2S and a molecular weight of 454.52 g/mol. Its IUPAC name is N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
• PubChem CID: 55516393
• Molecular Formula: C21H25F3N4O2S
• Molecular Weight: 454.52 g/mol
• Exact Mass: 454.17
• IUPAC Name: N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
• SMILES: CCCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1
• InChI: InChI=1S/C21H25F3N4O2S/c1-2-7-25-18(29)13-27-8-10-28(11-9-27)19(30)12-17-14-31-20(26-17)15-3-5-16(6-4-15)21(22,23)24/h3-6,14H,2,7-13H2,1H3,(H,25,29)
• InChIKey: WIMSBIDOCRDDGI-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.52
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide (CID 55516393) is N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide.

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

The canonical SMILES for N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide is CCCNC(=O)CN1CCN(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1.

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

The InChIKey is WIMSBIDOCRDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2S/c1-2-7-25-18(29)13-27-8-10-28(11-9-27)19(30)12-17-14-31-20(26-17)15-3-5-16(6-4-15)21(22,23)24/h3-6,14H,2,7-13H2,1H3,(H,25,29).

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

N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 454.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55516393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).