N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide

C24H25Cl2F3N2OS2 — CID 71622110

About N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide

N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide (PubChem CID 71622110) has the molecular formula C24H25Cl2F3N2OS2 and a molecular weight of 549.51 g/mol. Its IUPAC name is N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide.

Molecular Properties

• Compound Name: N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide
• PubChem CID: 71622110
• Molecular Formula: C24H25Cl2F3N2OS2
• Molecular Weight: 549.51 g/mol
• Exact Mass: 548.07
• IUPAC Name: N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide
• SMILES: CCSCC(=O)N(CC)Cc1ccc(C2=NSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
• InChI: InChI=1S/C24H25Cl2F3N2OS2/c1-4-31(22(32)14-33-5-2)13-17-7-6-16(8-15(17)3)21-12-23(34-30-21,24(27,28)29)18-9-19(25)11-20(26)10-18/h6-11H,4-5,12-14H2,1-3H3
• InChIKey: DZSBIRBYTMSKHY-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 32.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.51
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide?

The IUPAC name of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide (CID 71622110) is N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide.

What is the SMILES notation for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide?

The canonical SMILES for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide is CCSCC(=O)N(CC)Cc1ccc(C2=NSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C.

What is the InChIKey of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide?

The InChIKey is DZSBIRBYTMSKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2F3N2OS2/c1-4-31(22(32)14-33-5-2)13-17-7-6-16(8-15(17)3)21-12-23(34-30-21,24(27,28)29)18-9-19(25)11-20(26)10-18/h6-11H,4-5,12-14H2,1-3H3.

What are the key properties of N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide?

N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide has a molecular weight of 549.51 g/mol, XLogP of 7.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-thiazol-3-yl]-2-methylphenyl]methyl]-N-ethyl-2-ethylsulfanylacetamide is sourced from PubChem (CID 71622110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).