(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

C19H16ClNO4S — CID 1348512

IUPAC(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C19H16ClNO4S/c1-3-25-17-14(20)9-12(10-15(17)24-2)11-16-18(22)21(19(23)26-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b16-11+
InChIKeyJFQQDFZICDFKJE-LFIBNONCSA-N
MW389.86 g/mol
LogP4.99
Rot. Bonds5

About (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 1348512) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID1348512
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C19H16ClNO4S/c1-3-25-17-14(20)9-12(10-15(17)24-2)11-16-18(22)21(19(23)26-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b16-11+
InChIKeyJFQQDFZICDFKJE-LFIBNONCSA-N
XLogP4.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-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-chloro-4,5-diethoxyphenyl)methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126196639
(5Z)-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126064690
3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2867317
(5Z)-5-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126066346
3-(4-chlorophenyl)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2902485
(5E)-5-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126196669
(5E)-5-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126219330
(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1210184
(5E)-5-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 50873172
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126217197
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 1361821
5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 4179896

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 1348512) is (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC.
What is the InChIKey of (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is JFQQDFZICDFKJE-LFIBNONCSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-3-25-17-14(20)9-12(10-15(17)24-2)11-16-18(22)21(19(23)26-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b16-11+.
What are the key properties of (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 389.86 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1348512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).