(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C18H16N2O3S — CID 135403787

IUPAC(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(OC)c1
InChIInChI=1S/C18H16N2O3S/c1-22-14-9-8-12(15(11-14)23-2)10-16-17(21)20-18(24-16)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20,21)/b16-10+
InChIKeyVLTFLEBAIZPAMB-MHWRWJLKSA-N
MW340.40 g/mol
LogP3.60
Rot. Bonds4

About (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135403787) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135403787
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(OC)c1
InChIInChI=1S/C18H16N2O3S/c1-22-14-9-8-12(15(11-14)23-2)10-16-17(21)20-18(24-16)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20,21)/b16-10+
InChIKeyVLTFLEBAIZPAMB-MHWRWJLKSA-N
XLogP3.60
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.60
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

5-(4-Methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135478023
5-[(2,4-Dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135440751
(2E,5Z)-2-((4-methoxyphenyl)imino)-5-((E)-3-phenylallylidene)thiazolidin-4-one
CID 135418650
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
(2Z,5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
CID 135541115
5-(4-Methoxybenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135400261
(5E)-2-(4-hydroxyanilino)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 135460451
2-[(4-Methoxyphenyl)imino]-5-(3-phenyl-2-propen-1-ylidene)-1,3-thiazolidin-4-one
CID 135460598
(2E,5E)-5-(2,4-dimethoxybenzylidene)-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
CID 135506646
(2Z,5Z)-5-(2,4-dimethoxybenzylidene)-2-((4-fluorophenyl)imino)thiazolidin-4-one
CID 135509290
(Z)-5-(2,3-dimethoxybenzylidene)-2-(phenylamino)thiazol-4(5H)-one
CID 135529557
5-[(2,4-Dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135531039

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135403787) is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)c(OC)c1.
What is the InChIKey of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is VLTFLEBAIZPAMB-MHWRWJLKSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-14-9-8-12(15(11-14)23-2)10-16-17(21)20-18(24-16)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20,21)/b16-10+.
What are the key properties of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135403787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).