(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C25H23N3O2S — CID 18841842

IUPAC(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccccn1
InChIInChI=1S/C25H23N3O2S/c1-3-28-24(29)22(31-25(28)27-23-6-4-5-15-26-23)16-19-11-13-21(14-12-19)30-17-20-9-7-18(2)8-10-20/h4-16H,3,17H2,1-2H3/b22-16-,27-25+
InChIKeyWDWPUSRLTVHRJD-BQDIORIJSA-N
MW429.55 g/mol
LogP5.59
Rot. Bonds6

About (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841842) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18841842
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccccn1
InChIInChI=1S/C25H23N3O2S/c1-3-28-24(29)22(31-25(28)27-23-6-4-5-15-26-23)16-19-11-13-21(14-12-19)30-17-20-9-7-18(2)8-10-20/h4-16H,3,17H2,1-2H3/b22-16-,27-25+
InChIKeyWDWPUSRLTVHRJD-BQDIORIJSA-N
XLogP5.59
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.59
H-Bond Donors ≤ 50
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

(2E,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841894
(5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2202274
3-[[(5E)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6209091
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841839
(2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841825
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126247204
(5Z)-3-ethyl-2-ethylimino-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 6054887
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126240768
(5E)-3-methyl-2-(4-methylphenyl)imino-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9484476
(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841902
(2E,5Z)-3-methyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844210
(5E)-5-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126252662

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841842) is (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccccn1.
What is the InChIKey of (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is WDWPUSRLTVHRJD-BQDIORIJSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-3-28-24(29)22(31-25(28)27-23-6-4-5-15-26-23)16-19-11-13-21(14-12-19)30-17-20-9-7-18(2)8-10-20/h4-16H,3,17H2,1-2H3/b22-16-,27-25+.
What are the key properties of (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 429.55 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).