(5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one

C25H19Cl3N2O3S — CID 137119009

IUPAC(5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H19Cl3N2O3S/c1-2-32-22-12-15(4-10-21(22)33-14-16-3-9-19(27)20(28)11-16)13-23-24(31)30-25(34-23)29-18-7-5-17(26)6-8-18/h3-13H,2,14H2,1H3,(H,29,30,31)/b23-13-
InChIKeyRXKDAPAEFRWZOI-QRVIBDJDSA-N
MW533.86 g/mol
LogP7.52
Rot. Bonds7

About (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137119009) has the molecular formula C25H19Cl3N2O3S and a molecular weight of 533.86 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID137119009
Molecular FormulaC25H19Cl3N2O3S
Molecular Weight533.86 g/mol
Exact Mass532.02
IUPAC Name(5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H19Cl3N2O3S/c1-2-32-22-12-15(4-10-21(22)33-14-16-3-9-19(27)20(28)11-16)13-23-24(31)30-25(34-23)29-18-7-5-17(26)6-8-18/h3-13H,2,14H2,1H3,(H,29,30,31)/b23-13-
InChIKeyRXKDAPAEFRWZOI-QRVIBDJDSA-N
XLogP7.52
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.86
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137069530
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135733044
5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135487034
5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135487031
(5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137073615
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139523
5-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135486435
5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135482982
(5Z)-2-(5-chloro-2-methoxyphenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137173919
(5Z)-2-(5-chloro-2-methylphenyl)imino-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137162601
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135844371
2-[4-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 137060807

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one (CID 137119009) is (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one is CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is RXKDAPAEFRWZOI-QRVIBDJDSA-N. The full InChI is InChI=1S/C25H19Cl3N2O3S/c1-2-32-22-12-15(4-10-21(22)33-14-16-3-9-19(27)20(28)11-16)13-23-24(31)30-25(34-23)29-18-7-5-17(26)6-8-18/h3-13H,2,14H2,1H3,(H,29,30,31)/b23-13-.
What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 533.86 g/mol, XLogP of 7.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chlorophenyl)imino-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137119009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).