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

C18H16N2O3S — CID 135478023

IUPAC(5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)11-16-17(21)20-18(24-16)19-14-5-3-4-6-15(14)23-2/h3-11H,1-2H3,(H,19,20,21)/b16-11-
InChIKeyOMOAYYNGINEWQI-WJDWOHSUSA-N
MW340.40 g/mol
LogP3.60
Rot. Bonds4

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

(5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135478023) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135478023
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/c3ccccc3OC)NC2=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)11-16-17(21)20-18(24-16)19-14-5-3-4-6-15(14)23-2/h3-11H,1-2H3,(H,19,20,21)/b16-11-
InChIKeyOMOAYYNGINEWQI-WJDWOHSUSA-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-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135547290
(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
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-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
(5Z)-4-(4-ethoxyanilino)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazol-2-one
CID 135476820
5-[(Z)-1-(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyanilino)-1,3-thiazol-4-one
CID 135438929
2-(2-Methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136060677

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135478023) is (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/c3ccccc3OC)NC2=O)cc1.
What is the InChIKey of (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OMOAYYNGINEWQI-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)11-16-17(21)20-18(24-16)19-14-5-3-4-6-15(14)23-2/h3-11H,1-2H3,(H,19,20,21)/b16-11-.
What are the key properties of (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-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 (5Z)-2-(2-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135478023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).