(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

C19H16Cl2N2O2S — CID 9486185

About (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 9486185) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
• PubChem CID: 9486185
• Molecular Formula: C19H16Cl2N2O2S
• Molecular Weight: 407.32 g/mol
• Exact Mass: 406.03
• IUPAC Name: (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
• SMILES: CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2Cl)N(C)C1=O
• InChI: InChI=1S/C19H16Cl2N2O2S/c1-3-25-16-9-8-13(20)10-12(16)11-17-18(24)23(2)19(26-17)22-15-7-5-4-6-14(15)21/h4-11H,3H2,1-2H3/b17-11+,22-19-
• InChIKey: VSOAVHQWRMEJJY-AVJLYGTLSA-N
• XLogP: 5.63
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.32
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 9486185) is (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2Cl)N(C)C1=O.

What is the InChIKey of (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?

The InChIKey is VSOAVHQWRMEJJY-AVJLYGTLSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-3-25-16-9-8-13(20)10-12(16)11-17-18(24)23(2)19(26-17)22-15-7-5-4-6-14(15)21/h4-11H,3H2,1-2H3/b17-11+,22-19-.

What are the key properties of (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?

(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 407.32 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).