(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

C24H16FI2NO3S — CID 124663783

IUPAC(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H16FI2NO3S/c25-18-8-6-15(7-9-18)13-28-23(29)21(32-24(28)30)12-17-10-19(26)22(20(27)11-17)31-14-16-4-2-1-3-5-16/h1-12H,13-14H2/b21-12+
InChIKeyRGIOZKONGYNDHV-CIAFOILYSA-N
MW671.27 g/mol
LogP6.85
Rot. Bonds6

About (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 124663783) has the molecular formula C24H16FI2NO3S and a molecular weight of 671.27 g/mol. Its IUPAC name is (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID124663783
Molecular FormulaC24H16FI2NO3S
Molecular Weight671.27 g/mol
Exact Mass670.89
IUPAC Name(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H16FI2NO3S/c25-18-8-6-15(7-9-18)13-28-23(29)21(32-24(28)30)12-17-10-19(26)22(20(27)11-17)31-14-16-4-2-1-3-5-16/h1-12H,13-14H2/b21-12+
InChIKeyRGIOZKONGYNDHV-CIAFOILYSA-N
XLogP6.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.27
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_B(16)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-ethyl-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126080788
(5E)-3-benzyl-5-[(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124663010
(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126071856
(5Z)-3-[2-(4-fluorophenoxy)ethyl]-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126059717
5-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 4162696
(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126252067
(5E)-3-benzyl-2-benzylimino-5-[[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 126098904
(5Z)-3-benzyl-2-benzylimino-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 21207006
(5E)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 1229053
(5E)-3-ethyl-5-[[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126100681
(5E)-5-[[3,5-diiodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376794
2-[4-[(E)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 1229534

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 124663783) is (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is RGIOZKONGYNDHV-CIAFOILYSA-N. The full InChI is InChI=1S/C24H16FI2NO3S/c25-18-8-6-15(7-9-18)13-28-23(29)21(32-24(28)30)12-17-10-19(26)22(20(27)11-17)31-14-16-4-2-1-3-5-16/h1-12H,13-14H2/b21-12+.
What are the key properties of (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 671.27 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 124663783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).