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

C18H16N2O3S — CID 1256574

IUPAC2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(OC)cc2)C(=O)N1c1ccccc1OC
InChIInChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)11-16-17(21)20(18(19)24-16)14-5-3-4-6-15(14)23-2/h3-11,19H,1-2H3/b16-11?,19-18-
InChIKeyYBPABXGFEMOUTB-RPDKDNEYSA-N
MW340.40 g/mol
LogP3.76
Rot. Bonds4

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

2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 1256574) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID1256574
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(=Cc2ccc(OC)cc2)C(=O)N1c1ccccc1OC
InChIInChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)11-16-17(21)20(18(19)24-16)14-5-3-4-6-15(14)23-2/h3-11,19H,1-2H3/b16-11?,19-18-
InChIKeyYBPABXGFEMOUTB-RPDKDNEYSA-N
XLogP3.76
TPSA62.62 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 ≤ 53.76
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
(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
3-(4-Fluorophenyl)-2-imino-5-(4-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 1361026
(5Z)-5-(3,4-dimethoxybenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16188481
(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
5-[[4-[(2-Fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1202678
(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1826456
5-[[4-(Dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3761879
2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide
CID 4535213
5-[4-(Dimethylamino)benzylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5350597
(Z,Z)-2-Isopropylimino-5-(4-methoxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236811

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 1256574) is 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\SC(=Cc2ccc(OC)cc2)C(=O)N1c1ccccc1OC.
What is the InChIKey of 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YBPABXGFEMOUTB-RPDKDNEYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-13-9-7-12(8-10-13)11-16-17(21)20(18(19)24-16)14-5-3-4-6-15(14)23-2/h3-11,19H,1-2H3/b16-11?,19-18-.
What are the key properties of 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1256574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).