(5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C19H14Cl2N2OS — CID 135539299

About (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135539299) has the molecular formula C19H14Cl2N2OS and a molecular weight of 389.31 g/mol. Its IUPAC name is (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135539299
• Molecular Formula: C19H14Cl2N2OS
• Molecular Weight: 389.31 g/mol
• Exact Mass: 388.02
• IUPAC Name: (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
• SMILES: CC(=C\c1ccccc1)/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O
• InChI: InChI=1S/C19H14Cl2N2OS/c1-12(10-13-6-3-2-4-7-13)11-16-18(24)23-19(25-16)22-15-9-5-8-14(20)17(15)21/h2-11H,1H3,(H,22,23,24)/b12-10+,16-11+
• InChIKey: TZMNEYHQUPRDSV-SKZWUVKFSA-N
• XLogP: 5.83
• TPSA: 41.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.31
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135539299) is (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is CC(=C\c1ccccc1)/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O.

What is the InChIKey of (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?

The InChIKey is TZMNEYHQUPRDSV-SKZWUVKFSA-N. The full InChI is InChI=1S/C19H14Cl2N2OS/c1-12(10-13-6-3-2-4-7-13)11-16-18(24)23-19(25-16)22-15-9-5-8-14(20)17(15)21/h2-11H,1H3,(H,22,23,24)/b12-10+,16-11+.

What are the key properties of (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?

(5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 389.31 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-2-(2,3-dichlorophenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135539299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).