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

C20H25NO4S — CID 24827530

IUPAC(5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCC1(C)CCCCC1
InChIInChI=1S/C20H25NO4S/c1-3-24-16-11-14(12-17-18(22)21-19(23)26-17)7-8-15(16)25-13-20(2)9-5-4-6-10-20/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,21,22,23)/b17-12-
InChIKeyCJFIYZVVEIIJKB-ATVHPVEESA-N
MW375.49 g/mol
LogP4.76
Rot. Bonds6

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

(5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 24827530) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID24827530
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name(5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCC1(C)CCCCC1
InChIInChI=1S/C20H25NO4S/c1-3-24-16-11-14(12-17-18(22)21-19(23)26-17)7-8-15(16)25-13-20(2)9-5-4-6-10-20/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,21,22,23)/b17-12-
InChIKeyCJFIYZVVEIIJKB-ATVHPVEESA-N
XLogP4.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.76
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-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5E)-5-[(3,4-diethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71296821
(5Z)-5-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2230499
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-hydroxyphenyl)acetamide
CID 16634196
(5E)-5-[[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 50871837
[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl] 3-cyclopentylpropanoate
CID 137405325
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2850311
(5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1368101
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 54112531
5-[(3-ethoxy-4-hydroxy-5-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 123616506
(5Z)-5-[(3,4-diethoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137137180
(5Z)-5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 59411572
[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl] 2-(4-methoxyphenyl)acetate
CID 138961587

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 24827530) is (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCC1(C)CCCCC1.
What is the InChIKey of (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CJFIYZVVEIIJKB-ATVHPVEESA-N. The full InChI is InChI=1S/C20H25NO4S/c1-3-24-16-11-14(12-17-18(22)21-19(23)26-17)7-8-15(16)25-13-20(2)9-5-4-6-10-20/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,21,22,23)/b17-12-.
What are the key properties of (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 375.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-ethoxy-4-[(1-methylcyclohexyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 24827530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).