(5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C20H18ClNO5S — CID 126249016

IUPAC(5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(OC)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1
InChIInChI=1S/C20H18ClNO5S/c1-25-14-8-16(26-2)15(17(9-14)27-3)10-18-19(23)22(20(24)28-18)11-12-4-6-13(21)7-5-12/h4-10H,11H2,1-3H3/b18-10+
InChIKeyWCGYZHFOHCSAOF-VCHYOVAHSA-N
MW419.89 g/mol
LogP4.60
Rot. Bonds6

About (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126249016) has the molecular formula C20H18ClNO5S and a molecular weight of 419.89 g/mol. Its IUPAC name is (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126249016
Molecular FormulaC20H18ClNO5S
Molecular Weight419.89 g/mol
Exact Mass419.06
IUPAC Name(5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(OC)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1
InChIInChI=1S/C20H18ClNO5S/c1-25-14-8-16(26-2)15(17(9-14)27-3)10-18-19(23)22(20(24)28-18)11-12-4-6-13(21)7-5-12/h4-10H,11H2,1-3H3/b18-10+
InChIKeyWCGYZHFOHCSAOF-VCHYOVAHSA-N
XLogP4.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)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

3-[(4-chlorophenyl)methyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2899189
methyl 5-[[2,4-dioxo-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]furan-2-carboxylate
CID 5133266
3-prop-2-enyl-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4573421
3-[(4-chlorophenyl)methyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 4182607
2-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
CID 6307197
2-[4-[[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
CID 5227211
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6188254
(5Z)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 6176584
N-(3-chloro-4-methylphenyl)-2-[(5E)-2,4-dioxo-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 18772669
(5E)-3-[(4-fluorophenyl)methyl]-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124663978
3-[(4-bromophenyl)methyl]-5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2902531
(5E)-3-[(4-chlorophenyl)methyl]-5-[[3-iodo-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126228791

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 126249016) is (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(OC)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(OC)c1.
What is the InChIKey of (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WCGYZHFOHCSAOF-VCHYOVAHSA-N. The full InChI is InChI=1S/C20H18ClNO5S/c1-25-14-8-16(26-2)15(17(9-14)27-3)10-18-19(23)22(20(24)28-18)11-12-4-6-13(21)7-5-12/h4-10H,11H2,1-3H3/b18-10+.
What are the key properties of (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 419.89 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-chlorophenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126249016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).