(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione

C25H20ClNO3S — CID 18839966

IUPAC(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(N2C(=O)S/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)c1
InChIInChI=1S/C25H20ClNO3S/c1-16-6-7-17(2)22(12-16)27-24(28)23(31-25(27)29)14-19-4-3-5-21(13-19)30-15-18-8-10-20(26)11-9-18/h3-14H,15H2,1-2H3/b23-14-
InChIKeyBHFXAIKUAVZQQW-UCQKPKSFSA-N
MW449.96 g/mol
LogP6.78
Rot. Bonds5

About (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18839966) has the molecular formula C25H20ClNO3S and a molecular weight of 449.96 g/mol. Its IUPAC name is (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18839966
Molecular FormulaC25H20ClNO3S
Molecular Weight449.96 g/mol
Exact Mass449.09
IUPAC Name(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C)c(N2C(=O)S/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)c1
InChIInChI=1S/C25H20ClNO3S/c1-16-6-7-17(2)22(12-16)27-24(28)23(31-25(27)29)14-19-4-3-5-21(13-19)30-15-18-8-10-20(26)11-9-18/h3-14H,15H2,1-2H3/b23-14-
InChIKeyBHFXAIKUAVZQQW-UCQKPKSFSA-N
XLogP6.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-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

(5Z)-3-(4-chlorophenyl)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840509
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836899
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840172
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(4-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18837002
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840889
(5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840264
(5Z)-3-(4-methoxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18837383
(5Z)-3-(2,6-dimethylphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838933
2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,6-dimethylphenyl)acetamide
CID 126156420
2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 126175701
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839849

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione (CID 18839966) is (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(C)c(N2C(=O)S/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)c1.
What is the InChIKey of (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is BHFXAIKUAVZQQW-UCQKPKSFSA-N. The full InChI is InChI=1S/C25H20ClNO3S/c1-16-6-7-17(2)22(12-16)27-24(28)23(31-25(27)29)14-19-4-3-5-21(13-19)30-15-18-8-10-20(26)11-9-18/h3-14H,15H2,1-2H3/b23-14-.
What are the key properties of (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 449.96 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18839966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).