(5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C24H23Cl2NO3S — CID 126143304

IUPAC(5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C24H23Cl2NO3S/c25-19-11-10-17(12-20(19)26)15-30-21-9-5-4-8-18(21)13-22-23(28)27(24(29)31-22)14-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2/b22-13+
InChIKeyWBAPUAVIPJNESK-LPYMAVHISA-N
MW476.43 g/mol
LogP7.19
Rot. Bonds6

About (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126143304) has the molecular formula C24H23Cl2NO3S and a molecular weight of 476.43 g/mol. Its IUPAC name is (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126143304
Molecular FormulaC24H23Cl2NO3S
Molecular Weight476.43 g/mol
Exact Mass475.08
IUPAC Name(5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1CC1CCCCC1
InChIInChI=1S/C24H23Cl2NO3S/c25-19-11-10-17(12-20(19)26)15-30-21-9-5-4-8-18(21)13-22-23(28)27(24(29)31-22)14-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2/b22-13+
InChIKeyWBAPUAVIPJNESK-LPYMAVHISA-N
XLogP7.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.43
LogP ≤ 57.19
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 (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]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)-3-(cyclohexylmethyl)-5-[[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126129312
(5E)-5-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
CID 126131252
2-[[(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
CID 126178813
(5E)-3-(cyclohexylmethyl)-5-[[3,5-dichloro-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126143484
(5Z)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2202255
3-[[2-chloro-4-[(E)-[3-(cyclohexylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126155405
(5E)-3-(cyclohexylmethyl)-5-[[3-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126152730
(5E)-3-(cyclohexylmethyl)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126137646
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840887
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
CID 126137299
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methylidene]-3-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
CID 126152505
(5E)-3-(cyclohexylmethyl)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126144620

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 126143304) is (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1CC1CCCCC1.
What is the InChIKey of (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WBAPUAVIPJNESK-LPYMAVHISA-N. The full InChI is InChI=1S/C24H23Cl2NO3S/c25-19-11-10-17(12-20(19)26)15-30-21-9-5-4-8-18(21)13-22-23(28)27(24(29)31-22)14-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2/b22-13+.
What are the key properties of (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 476.43 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(cyclohexylmethyl)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126143304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).