(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C19H15Cl2IN2O2S — CID 124532234

About (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 124532234) has the molecular formula C19H15Cl2IN2O2S and a molecular weight of 533.22 g/mol. Its IUPAC name is (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
• PubChem CID: 124532234
• Molecular Formula: C19H15Cl2IN2O2S
• Molecular Weight: 533.22 g/mol
• Exact Mass: 531.93
• IUPAC Name: (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
• SMILES: C/N=C1/S/C(=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C(=O)N1C
• InChI: InChI=1S/C19H15Cl2IN2O2S/c1-23-19-24(2)18(25)16(27-19)9-12-7-14(20)17(15(21)8-12)26-10-11-3-5-13(22)6-4-11/h3-9H,10H2,1-2H3/b16-9-,23-19+
• InChIKey: RUYVRWVGFWOGJP-RHFGJHFGSA-N
• XLogP: 5.71
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.22
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 124532234) is (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/S/C(=C\c2cc(Cl)c(OCc3ccc(I)cc3)c(Cl)c2)C(=O)N1C.

What is the InChIKey of (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?

The InChIKey is RUYVRWVGFWOGJP-RHFGJHFGSA-N. The full InChI is InChI=1S/C19H15Cl2IN2O2S/c1-23-19-24(2)18(25)16(27-19)9-12-7-14(20)17(15(21)8-12)26-10-11-3-5-13(22)6-4-11/h3-9H,10H2,1-2H3/b16-9-,23-19+.

What are the key properties of (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?

(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 533.22 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 124532234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).