(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione

C23H14Cl2INO3S — CID 126196293

IUPAC(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C23H14Cl2INO3S/c24-16-4-1-14(2-5-16)13-30-20-10-3-15(11-19(20)26)12-21-22(28)27(23(29)31-21)18-8-6-17(25)7-9-18/h1-12H,13H2/b21-12+
InChIKeyVIMXKCKKSICLHF-CIAFOILYSA-N
MW582.25 g/mol
LogP7.42
Rot. Bonds5

About (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126196293) has the molecular formula C23H14Cl2INO3S and a molecular weight of 582.25 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126196293
Molecular FormulaC23H14Cl2INO3S
Molecular Weight582.25 g/mol
Exact Mass580.91
IUPAC Name(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C23H14Cl2INO3S/c24-16-4-1-14(2-5-16)13-30-20-10-3-15(11-19(20)26)12-21-22(28)27(23(29)31-21)18-8-6-17(25)7-9-18/h1-12H,13H2/b21-12+
InChIKeyVIMXKCKKSICLHF-CIAFOILYSA-N
XLogP7.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.25
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-(4-chlorophenyl)-5-[[3-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126198022
(5E)-3-(4-chlorophenyl)-5-[[3,5-diiodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126200014
(5E)-3-(3-chlorophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126215030
(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126197502
(5Z)-3-(4-chlorophenyl)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840509
(5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126209501
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126194356
methyl (2R)-2-[(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126076416
(5E)-3-(4-chlorophenyl)-5-[[3-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126198028
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376764
N-(2-chlorophenyl)-2-[(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126234310
5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 4753318

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 126196293) is (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is VIMXKCKKSICLHF-CIAFOILYSA-N. The full InChI is InChI=1S/C23H14Cl2INO3S/c24-16-4-1-14(2-5-16)13-30-20-10-3-15(11-19(20)26)12-21-22(28)27(23(29)31-21)18-8-6-17(25)7-9-18/h1-12H,13H2/b21-12+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 582.25 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126196293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).