5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide

C24H24Cl2F3N3O2S — CID 142461257

About 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide

5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide (PubChem CID 142461257) has the molecular formula C24H24Cl2F3N3O2S and a molecular weight of 546.44 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide.

Molecular Properties

• Compound Name: 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide
• PubChem CID: 142461257
• Molecular Formula: C24H24Cl2F3N3O2S
• Molecular Weight: 546.44 g/mol
• Exact Mass: 545.09
• IUPAC Name: 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide
• SMILES: CN1CCC(NC=O)C1=O.Cc1ccc(C2=NSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
• InChI: InChI=1S/C18H14Cl2F3NS.C6H10N2O2/c1-10-3-4-12(5-11(10)2)16-9-17(25-24-16,18(21,22)23)13-6-14(19)8-15(20)7-13;1-8-3-2-5(6(8)10)7-4-9/h3-8H,9H2,1-2H3;4-5H,2-3H2,1H3,(H,7,9)
• InChIKey: CFYXVSPMMJYENY-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.44
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide?

The IUPAC name of 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide (CID 142461257) is 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide.

What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide?

The canonical SMILES for 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide is CN1CCC(NC=O)C1=O.Cc1ccc(C2=NSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C.

What is the InChIKey of 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide?

The InChIKey is CFYXVSPMMJYENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3NS.C6H10N2O2/c1-10-3-4-12(5-11(10)2)16-9-17(25-24-16,18(21,22)23)13-6-14(19)8-15(20)7-13;1-8-3-2-5(6(8)10)7-4-9/h3-8H,9H2,1-2H3;4-5H,2-3H2,1H3,(H,7,9).

What are the key properties of 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide?

5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide has a molecular weight of 546.44 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-thiazole;N-(1-methyl-2-oxopyrrolidin-3-yl)formamide is sourced from PubChem (CID 142461257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).