(5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one

C23H26N4O3S — CID 28873410

IUPAC(5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C/c2ccc(O)c(OCC)c2)C(=O)N1/N=C\c1ccc(N(C)C)cc1
InChIInChI=1S/C23H26N4O3S/c1-5-24-23-27(25-15-16-7-10-18(11-8-16)26(3)4)22(29)21(31-23)14-17-9-12-19(28)20(13-17)30-6-2/h7-15,28H,5-6H2,1-4H3/b21-14+,24-23-,25-15-
InChIKeyVZHQRJPIQHBGCR-ZQTFNRTPSA-N
MW438.55 g/mol
LogP4.18
Rot. Bonds7

About (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one

(5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one (PubChem CID 28873410) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one
PubChem CID28873410
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name(5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C/c2ccc(O)c(OCC)c2)C(=O)N1/N=C\c1ccc(N(C)C)cc1
InChIInChI=1S/C23H26N4O3S/c1-5-24-23-27(25-15-16-7-10-18(11-8-16)26(3)4)22(29)21(31-23)14-17-9-12-19(28)20(13-17)30-6-2/h7-15,28H,5-6H2,1-4H3/b21-14+,24-23-,25-15-
InChIKeyVZHQRJPIQHBGCR-ZQTFNRTPSA-N
XLogP4.18
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135601190
(5Z)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,3-thiazolidin-4-one
CID 135704691
3-butyl-2-butylimino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4515548
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4757705
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27437604
(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9484583
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1337391
3-[4-(diethylamino)phenyl]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1414413
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137166326
5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-[[4-(dimethylamino)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3697862
(5E)-2-(2-chlorophenyl)imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486213
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27435548

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one (CID 28873410) is (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one is CC/N=C1\S/C(=C/c2ccc(O)c(OCC)c2)C(=O)N1/N=C\c1ccc(N(C)C)cc1.
What is the InChIKey of (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one?
The InChIKey is VZHQRJPIQHBGCR-ZQTFNRTPSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-5-24-23-27(25-15-16-7-10-18(11-8-16)26(3)4)22(29)21(31-23)14-17-9-12-19(28)20(13-17)30-6-2/h7-15,28H,5-6H2,1-4H3/b21-14+,24-23-,25-15-.
What are the key properties of (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one?
(5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one has a molecular weight of 438.55 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-ethylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 28873410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).