(5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H12Cl2I2N2O2S — CID 136715861

About (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 136715861) has the molecular formula C19H12Cl2I2N2O2S and a molecular weight of 657.10 g/mol. Its IUPAC name is (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 136715861
• Molecular Formula: C19H12Cl2I2N2O2S
• Molecular Weight: 657.10 g/mol
• Exact Mass: 655.81
• IUPAC Name: (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: C=CCOc1c(I)cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1I
• InChI: InChI=1S/C19H12Cl2I2N2O2S/c1-2-6-27-17-12(22)7-10(8-13(17)23)9-15-18(26)25-19(28-15)24-14-5-3-4-11(20)16(14)21/h2-5,7-9H,1,6H2,(H,24,25,26)/b15-9-
• InChIKey: FKXAGVYAVDIRFS-DHDCSXOGSA-N
• XLogP: 6.66
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.10
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 136715861) is (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one is C=CCOc1c(I)cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1I.

What is the InChIKey of (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is FKXAGVYAVDIRFS-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H12Cl2I2N2O2S/c1-2-6-27-17-12(22)7-10(8-13(17)23)9-15-18(26)25-19(28-15)24-14-5-3-4-11(20)16(14)21/h2-5,7-9H,1,6H2,(H,24,25,26)/b15-9-.

What are the key properties of (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

(5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 657.10 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(2,3-dichlorophenyl)imino-5-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136715861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).