N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C25H26F3N3O2S — CID 55659912

About N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55659912) has the molecular formula C25H26F3N3O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
• PubChem CID: 55659912
• Molecular Formula: C25H26F3N3O2S
• Molecular Weight: 489.56 g/mol
• Exact Mass: 489.17
• IUPAC Name: N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
• SMILES: Cc1cccc(C(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)N2CCOCC2)c1
• InChI: InChI=1S/C25H26F3N3O2S/c1-17-3-2-4-19(13-17)22(31-9-11-33-12-10-31)15-29-23(32)14-21-16-34-24(30-21)18-5-7-20(8-6-18)25(26,27)28/h2-8,13,16,22H,9-12,14-15H2,1H3,(H,29,32)
• InChIKey: IGSLTMHYMAEHKJ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.56
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 55659912) is N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is Cc1cccc(C(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)N2CCOCC2)c1.

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

The InChIKey is IGSLTMHYMAEHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S/c1-17-3-2-4-19(13-17)22(31-9-11-33-12-10-31)15-29-23(32)14-21-16-34-24(30-21)18-5-7-20(8-6-18)25(26,27)28/h2-8,13,16,22H,9-12,14-15H2,1H3,(H,29,32).

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

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 489.56 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55659912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).