(5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one

C25H21ClN2O2S — CID 118542190

About (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one

(5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 118542190) has the molecular formula C25H21ClN2O2S and a molecular weight of 448.98 g/mol. Its IUPAC name is (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 118542190
• Molecular Formula: C25H21ClN2O2S
• Molecular Weight: 448.98 g/mol
• Exact Mass: 448.10
• IUPAC Name: (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one
• SMILES: COCc1cccc(/C=C2\S/C(=N\Cc3ccccc3Cl)N(c3ccccc3)C2=O)c1
• InChI: InChI=1S/C25H21ClN2O2S/c1-30-17-19-9-7-8-18(14-19)15-23-24(29)28(21-11-3-2-4-12-21)25(31-23)27-16-20-10-5-6-13-22(20)26/h2-15H,16-17H2,1H3/b23-15-,27-25-
• InChIKey: CYWLANCHRKLNBS-KHHYFDFNSA-N
• XLogP: 6.16
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.98
LogP ≤ 5	6.16
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 (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 118542190) is (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one is COCc1cccc(/C=C2\S/C(=N\Cc3ccccc3Cl)N(c3ccccc3)C2=O)c1.

What is the InChIKey of (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one?

The InChIKey is CYWLANCHRKLNBS-KHHYFDFNSA-N. The full InChI is InChI=1S/C25H21ClN2O2S/c1-30-17-19-9-7-8-18(14-19)15-23-24(29)28(21-11-3-2-4-12-21)25(31-23)27-16-20-10-5-6-13-22(20)26/h2-15H,16-17H2,1H3/b23-15-,27-25-.

What are the key properties of (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one?

(5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 448.98 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(2-chlorophenyl)methylimino]-5-[[3-(methoxymethyl)phenyl]methylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 118542190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).