(5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C24H18ClNO3S — CID 126063219

About (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126063219) has the molecular formula C24H18ClNO3S and a molecular weight of 435.93 g/mol. Its IUPAC name is (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 126063219
• Molecular Formula: C24H18ClNO3S
• Molecular Weight: 435.93 g/mol
• Exact Mass: 435.07
• IUPAC Name: (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c1
• InChI: InChI=1S/C24H18ClNO3S/c1-16-7-6-8-17(13-16)15-29-21-12-5-2-9-18(21)14-22-23(27)26(24(28)30-22)20-11-4-3-10-19(20)25/h2-14H,15H2,1H3/b22-14-
• InChIKey: IZRGTNXUPAFILV-HMAPJEAMSA-N
• XLogP: 6.47
• TPSA: 46.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.93
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 126063219) is (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c1.

What is the InChIKey of (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is IZRGTNXUPAFILV-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H18ClNO3S/c1-16-7-6-8-17(13-16)15-29-21-12-5-2-9-18(21)14-22-23(27)26(24(28)30-22)20-11-4-3-10-19(20)25/h2-14H,15H2,1H3/b22-14-.

What are the key properties of (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 435.93 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-(2-chlorophenyl)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126063219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).