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

C23H14Cl2INO3S — CID 126209501

IUPAC(5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H14Cl2INO3S/c24-16-5-3-6-17(12-16)27-22(28)21(31-23(27)29)11-14-8-9-20(19(26)10-14)30-13-15-4-1-2-7-18(15)25/h1-12H,13H2/b21-11+
InChIKeyWYDPNIBLKFYEPL-SRZZPIQSSA-N
MW582.25 g/mol
LogP7.42
Rot. Bonds5

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

(5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126209501) has the molecular formula C23H14Cl2INO3S and a molecular weight of 582.25 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126209501
Molecular FormulaC23H14Cl2INO3S
Molecular Weight582.25 g/mol
Exact Mass580.91
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H14Cl2INO3S/c24-16-5-3-6-17(12-16)27-22(28)21(31-23(27)29)11-14-8-9-20(19(26)10-14)30-13-15-4-1-2-7-18(15)25/h1-12H,13H2/b21-11+
InChIKeyWYDPNIBLKFYEPL-SRZZPIQSSA-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-(3-chlorophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126215030
(5E)-3-(3-chlorophenyl)-5-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126215836
methyl 2-[4-[(E)-[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodophenoxy]acetate
CID 126224379
(5E)-3-(3-chlorophenyl)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126206069
(5E)-3-(4-chlorophenyl)-5-[[4-[(4-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126196293
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837290
(5E)-3-(3-chlorophenyl)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 50870996
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-3-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
CID 126152505
(5Z)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126349605
(5E)-3-(3-chlorophenyl)-5-[[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126208193
(5Z)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126344177
(5E)-3-(3-chlorophenyl)-5-[(3,4-diethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1332240

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 126209501) is (5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WYDPNIBLKFYEPL-SRZZPIQSSA-N. The full InChI is InChI=1S/C23H14Cl2INO3S/c24-16-5-3-6-17(12-16)27-22(28)21(31-23(27)29)11-14-8-9-20(19(26)10-14)30-13-15-4-1-2-7-18(15)25/h1-12H,13H2/b21-11+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[[4-[(2-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-(3-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126209501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).