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

C18H11Cl2I2NO3S — CID 124666695

IUPAC(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C18H11Cl2I2NO3S/c1-26-16-10(5-11(21)7-14(16)22)6-15-17(24)23(18(25)27-15)8-9-2-3-12(19)13(20)4-9/h2-7H,8H2,1H3/b15-6+
InChIKeyXVUVJOKRGKAXDZ-GIDUJCDVSA-N
MW646.07 g/mol
LogP6.45
Rot. Bonds4

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

(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 124666695) has the molecular formula C18H11Cl2I2NO3S and a molecular weight of 646.07 g/mol. Its IUPAC name is (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID124666695
Molecular FormulaC18H11Cl2I2NO3S
Molecular Weight646.07 g/mol
Exact Mass644.79
IUPAC Name(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1c(I)cc(I)cc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C18H11Cl2I2NO3S/c1-26-16-10(5-11(21)7-14(16)22)6-15-17(24)23(18(25)27-15)8-9-2-3-12(19)13(20)4-9/h2-7H,8H2,1H3/b15-6+
InChIKeyXVUVJOKRGKAXDZ-GIDUJCDVSA-N
XLogP6.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.07
LogP ≤ 56.45
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)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-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)-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124665298
(5E)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126257734
(5Z)-5-[(3-amino-4-methoxyphenyl)methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 23125215
propan-2-yl 2-[(5E)-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 124641859
(5E)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 18773325
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 6305130
(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18773308
(5E)-5-[(4-chlorophenyl)methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124666098
(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(2,3-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23125331
(5E)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126226632
methyl 2-[5-bromo-4-[(E)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 124666601
methyl 4-[(E)-[3-[(3,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 124666334

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 124666695) is (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1c(I)cc(I)cc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XVUVJOKRGKAXDZ-GIDUJCDVSA-N. The full InChI is InChI=1S/C18H11Cl2I2NO3S/c1-26-16-10(5-11(21)7-14(16)22)6-15-17(24)23(18(25)27-15)8-9-2-3-12(19)13(20)4-9/h2-7H,8H2,1H3/b15-6+.
What are the key properties of (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 646.07 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(3,5-diiodo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 124666695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).