2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid

C24H18N2O4S — CID 2254703

IUPAC2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H18N2O4S/c27-22(28)16-30-20-13-11-17(12-14-20)15-21-23(29)26(19-9-5-2-6-10-19)24(31-21)25-18-7-3-1-4-8-18/h1-15H,16H2,(H,27,28)/b21-15-,25-24-
InChIKeyLLKMHYDZDXYSDG-PSYZWBJOSA-N
MW430.49 g/mol
LogP4.96
Rot. Bonds6

About 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid

2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid (PubChem CID 2254703) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
PubChem CID2254703
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC Name2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H18N2O4S/c27-22(28)16-30-20-13-11-17(12-14-20)15-21-23(29)26(19-9-5-2-6-10-19)24(31-21)25-18-7-3-1-4-8-18/h1-15H,16H2,(H,27,28)/b21-15-,25-24-
InChIKeyLLKMHYDZDXYSDG-PSYZWBJOSA-N
XLogP4.96
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.96
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'}

Analyze 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[4-[(Z)-[2-(4-fluoroanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenoxy]acetate
CID 135468651
5-(4-Hydroxy-3-methoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 1377804
(Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 11315069
(Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237052
rac-(Z,Z)-5-[4-(2,3-Dihydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237175
{3-[(6-(anilinocarbonyl)-5-(4-ethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
CID 21170505
(Z,Z)-2-Isopropylimino-5-(4-methoxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236811
(Z,Z)-5-[3-(2-Hydroxy-ethoxy)-benzylidene]-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46237177
(Z,Z)-5-[4-(3-Dimethylamino-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237178
{4-[2-(4-Ethyl-phenylimino)-4-oxo-thiazolidin-5-ylidenemethyl]-2-methoxy-phenoxy}-acetic acid
CID 135547302
{2-Ethoxy-4-[2-(4-ethyl-phenylimino)-4-oxo-thiazolidin-5-ylidenemethyl]-phenoxy}-acetic acid
CID 135547306
2-(4-((4-Oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)phenoxy)acetic acid
CID 1776674

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid (CID 2254703) is 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid?
The InChIKey is LLKMHYDZDXYSDG-PSYZWBJOSA-N. The full InChI is InChI=1S/C24H18N2O4S/c27-22(28)16-30-20-13-11-17(12-14-20)15-21-23(29)26(19-9-5-2-6-10-19)24(31-21)25-18-7-3-1-4-8-18/h1-15H,16H2,(H,27,28)/b21-15-,25-24-.
What are the key properties of 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid?
2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid has a molecular weight of 430.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid is sourced from PubChem (CID 2254703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).