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

C17H15N3O3S — CID 18841825

IUPAC(2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(O)c(O)c2)S/C1=N/c1ccccn1
InChIInChI=1S/C17H15N3O3S/c1-2-20-16(23)14(10-11-6-7-12(21)13(22)9-11)24-17(20)19-15-5-3-4-8-18-15/h3-10,21-22H,2H2,1H3/b14-10-,19-17+
InChIKeyTUAWBBLISYADDH-MJBRBLHISA-N
MW341.39 g/mol
LogP3.12
Rot. Bonds3

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

(2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841825) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
PubChem CID18841825
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(O)c(O)c2)S/C1=N/c1ccccn1
InChIInChI=1S/C17H15N3O3S/c1-2-20-16(23)14(10-11-6-7-12(21)13(22)9-11)24-17(20)19-15-5-3-4-8-18-15/h3-10,21-22H,2H2,1H3/b14-10-,19-17+
InChIKeyTUAWBBLISYADDH-MJBRBLHISA-N
XLogP3.12
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841894
(2E,5Z)-3-ethyl-5-(naphthalen-1-ylmethylidene)-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841902
(2E,5Z)-3-ethyl-5-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841842
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841878
2-[[(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]-5-hydroxybenzoic acid
CID 27430409
(5E)-3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 9484734
(2E,5Z)-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842834
(2E,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841730
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841839
(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 9484583
4-[(Z)-[(2E)-3-methyl-4-oxo-2-pyridin-2-ylimino-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 18841767
(2E,5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841781

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841825) is (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(O)c(O)c2)S/C1=N/c1ccccn1.
What is the InChIKey of (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is TUAWBBLISYADDH-MJBRBLHISA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-2-20-16(23)14(10-11-6-7-12(21)13(22)9-11)24-17(20)19-15-5-3-4-8-18-15/h3-10,21-22H,2H2,1H3/b14-10-,19-17+.
What are the key properties of (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?
(2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 341.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-ethyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).