(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H22ClNO4S — CID 46836532

IUPAC(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)NC2=O)cc(Cl)c1OCCC1CCCCC1
InChIInChI=1S/C19H22ClNO4S/c1-24-15-10-13(11-16-18(22)21-19(23)26-16)9-14(20)17(15)25-8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,21,22,23)/b16-11-
InChIKeyLKZZXHNHZGUMJF-WJDWOHSUSA-N
MW395.91 g/mol
LogP5.02
Rot. Bonds6

About (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46836532) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46836532
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)NC2=O)cc(Cl)c1OCCC1CCCCC1
InChIInChI=1S/C19H22ClNO4S/c1-24-15-10-13(11-16-18(22)21-19(23)26-16)9-14(20)17(15)25-8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,21,22,23)/b16-11-
InChIKeyLKZZXHNHZGUMJF-WJDWOHSUSA-N
XLogP5.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.91
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[4-(3-cyclohexylpropoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836959
(5Z)-5-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2278524
5-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2896258
(5Z)-5-[[4-(2-cyclohexylethoxy)-3-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836609
ethyl 2-[2-chloro-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]acetate
CID 1232252
5-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3719783
5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3100428
5-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2895775
(5E)-5-[[3-chloro-5-methoxy-4-[3-(4-methoxyphenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2226751
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 158844505
5-[[4-(cyclohexylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74993371
(5Z)-5-[[3-chloro-5-methoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2230636

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 46836532) is (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)NC2=O)cc(Cl)c1OCCC1CCCCC1.
What is the InChIKey of (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LKZZXHNHZGUMJF-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-24-15-10-13(11-16-18(22)21-19(23)26-16)9-14(20)17(15)25-8-7-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,21,22,23)/b16-11-.
What are the key properties of (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 395.91 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-chloro-4-(2-cyclohexylethoxy)-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46836532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).