(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

C18H14F2N2O2S — CID 9486097

IUPAC(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccccc2O)S/C1=N/c1ccc(F)cc1F
InChIInChI=1S/C18H14F2N2O2S/c1-2-22-17(24)16(9-11-5-3-4-6-15(11)23)25-18(22)21-14-8-7-12(19)10-13(14)20/h3-10,23H,2H2,1H3/b16-9+,21-18+
InChIKeyBEWCNZLYAOQPJP-VVNVNOPNSA-N
MW360.39 g/mol
LogP4.29
Rot. Bonds3

About (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 9486097) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID9486097
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccccc2O)S/C1=N/c1ccc(F)cc1F
InChIInChI=1S/C18H14F2N2O2S/c1-2-22-17(24)16(9-11-5-3-4-6-15(11)23)25-18(22)21-14-8-7-12(19)10-13(14)20/h3-10,23H,2H2,1H3/b16-9+,21-18+
InChIKeyBEWCNZLYAOQPJP-VVNVNOPNSA-N
XLogP4.29
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486108
(5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486140
(5Z)-3-ethyl-2-ethylimino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18838724
(5E)-2-(2,4-difluorophenyl)imino-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486012
(5E)-3-ethyl-2-(2-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485732
(5Z)-3-ethyl-5-[(3-fluorophenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27408833
(5Z)-5-[(2-chlorophenyl)methylidene]-3-ethyl-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 27436574
(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-[[2-(2-oxopentan-3-yloxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 43861421
(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 27434731
(5Z)-3-ethyl-2-(3-hydroxyphenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 27436477
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1229060
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 126233918

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 9486097) is (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N/c1ccc(F)cc1F.
What is the InChIKey of (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is BEWCNZLYAOQPJP-VVNVNOPNSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-2-22-17(24)16(9-11-5-3-4-6-15(11)23)25-18(22)21-14-8-7-12(19)10-13(14)20/h3-10,23H,2H2,1H3/b16-9+,21-18+.
What are the key properties of (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 360.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).