(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C17H13Cl2N3OS — CID 18841878

About (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841878) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
• PubChem CID: 18841878
• Molecular Formula: C17H13Cl2N3OS
• Molecular Weight: 378.28 g/mol
• Exact Mass: 377.02
• IUPAC Name: (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
• SMILES: CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1ccccn1
• InChI: InChI=1S/C17H13Cl2N3OS/c1-2-22-16(23)14(9-11-6-7-12(18)10-13(11)19)24-17(22)21-15-5-3-4-8-20-15/h3-10H,2H2,1H3/b14-9-,21-17+
• InChIKey: OHFZMOAAWQPIAC-NLNXUYBSSA-N
• XLogP: 5.01
• TPSA: 45.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.28
LogP ≤ 5	5.01
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 (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841878) is (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1ccccn1.

What is the InChIKey of (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?

The InChIKey is OHFZMOAAWQPIAC-NLNXUYBSSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-2-22-16(23)14(9-11-6-7-12(18)10-13(11)19)24-17(22)21-15-5-3-4-8-20-15/h3-10H,2H2,1H3/b14-9-,21-17+.

What are the key properties of (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?

(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 378.28 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).