(5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

C14H7BrClIN2O2S — CID 137079528

About (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137079528) has the molecular formula C14H7BrClIN2O2S and a molecular weight of 509.55 g/mol. Its IUPAC name is (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
• PubChem CID: 137079528
• Molecular Formula: C14H7BrClIN2O2S
• Molecular Weight: 509.55 g/mol
• Exact Mass: 507.81
• IUPAC Name: (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1cc(Br)c(I)o1
• InChI: InChI=1S/C14H7BrClIN2O2S/c15-10-5-9(21-12(10)17)6-11-13(20)19-14(22-11)18-8-3-1-7(16)2-4-8/h1-6H,(H,18,19,20)/b11-6-
• InChIKey: VZTSJBOWYBKVAR-WDZFZDKYSA-N
• XLogP: 5.19
• TPSA: 54.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.55
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 137079528) is (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1cc(Br)c(I)o1.

What is the InChIKey of (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?

The InChIKey is VZTSJBOWYBKVAR-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H7BrClIN2O2S/c15-10-5-9(21-12(10)17)6-11-13(20)19-14(22-11)18-8-3-1-7(16)2-4-8/h1-6H,(H,18,19,20)/b11-6-.

What are the key properties of (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?

(5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 509.55 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(4-bromo-5-iodofuran-2-yl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137079528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).