(5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

C18H16N2O2S — CID 135620564

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-5-3-4-6-15(12)19-18-20-17(21)16(23-18)11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,19,20,21)/b16-11+
InChIKeyZCNSKGOVCGQRFN-LFIBNONCSA-N
MW324.41 g/mol
LogP3.90
Rot. Bonds3

About (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135620564) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135620564
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc1
InChIInChI=1S/C18H16N2O2S/c1-12-5-3-4-6-15(12)19-18-20-17(21)16(23-18)11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,19,20,21)/b16-11+
InChIKeyZCNSKGOVCGQRFN-LFIBNONCSA-N
XLogP3.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.90
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

5-(4-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135547290
5-(4-Methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135478023
5-(2,4-Dimethoxybenzylidene)-2-phenyliminothiazolidin-4-one
CID 135403787
5-[(2,4-Dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135440751
methyl 2-[4-[(Z)-[2-(4-fluoroanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenoxy]acetate
CID 135468651
3-(4-Fluorophenyl)-2-imino-5-(4-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1361026
(2E,5Z)-2-((4-methoxyphenyl)imino)-5-((E)-3-phenylallylidene)thiazolidin-4-one
CID 135418650
(5E)-2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5291925
5-{4-[(2-Fluorobenzyl)oxy]-3-methoxybenzylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135404028
2-{[4-hydroxy-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
CID 135419163
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
(5Z)-4-(4-ethoxyanilino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-2-one
CID 135476820

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135620564) is (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc1.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ZCNSKGOVCGQRFN-LFIBNONCSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-5-3-4-6-15(12)19-18-20-17(21)16(23-18)11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3,(H,19,20,21)/b16-11+.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 324.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135620564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).