N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide

C19H14Cl2F3N3O2S — CID 41242549

About N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide

N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 41242549) has the molecular formula C19H14Cl2F3N3O2S and a molecular weight of 476.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 41242549
• Molecular Formula: C19H14Cl2F3N3O2S
• Molecular Weight: 476.31 g/mol
• Exact Mass: 475.01
• IUPAC Name: N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
• SMILES: CN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C19H14Cl2F3N3O2S/c1-27-17(29)15(9-16(28)25-14-7-11(20)6-12(21)8-14)30-18(27)26-13-4-2-3-10(5-13)19(22,23)24/h2-8,15H,9H2,1H3,(H,25,28)/b26-18-/t15-/m1/s1
• InChIKey: XABJFHYPAIZFLF-MSUPTPDXSA-N
• XLogP: 5.60
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.31
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide (CID 41242549) is N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide is CN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S/C1=N\c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is XABJFHYPAIZFLF-MSUPTPDXSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O2S/c1-27-17(29)15(9-16(28)25-14-7-11(20)6-12(21)8-14)30-18(27)26-13-4-2-3-10(5-13)19(22,23)24/h2-8,15H,9H2,1H3,(H,25,28)/b26-18-/t15-/m1/s1.

What are the key properties of N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 476.31 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 41242549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).