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

C20H20N2O4S — CID 6166551

IUPAC2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILESCCc1ccc(NC2NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)S2)cc1
InChIInChI=1S/C20H20N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11,20-21H,2,12H2,1H3,(H,22,25)(H,23,24)/b17-11-
InChIKeyWWRDUVVZKOFKDE-BOPFTXTBSA-N
MW384.46 g/mol
LogP3.31
Rot. Bonds7

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

2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid (PubChem CID 6166551) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
PubChem CID6166551
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILESCCc1ccc(NC2NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)S2)cc1
InChIInChI=1S/C20H20N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11,20-21H,2,12H2,1H3,(H,22,25)(H,23,24)/b17-11-
InChIKeyWWRDUVVZKOFKDE-BOPFTXTBSA-N
XLogP3.31
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

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Related Compounds

5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 4319389
2-[4-[(E)-[2-(4-hydroxyanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 143465775
(2S,5Z)-5-[(3-bromo-4-prop-2-enoxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 26987407
(2S,5E)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 26987444
2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid
CID 91755034
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-ethylanilino)-1,3-thiazolidin-4-one
CID 6115654
2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 7973015
3-[[4-[(E)-(4-oxo-2-sulfanyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 163804195
2-[4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 3411571
2-[4-[(E)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 27411362
2-[4-[(Z)-[2-(4-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 135547302
N-(4-ethylphenyl)-2-[4-[(Z)-[4-oxo-3-(4-phenoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 126250316

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid (CID 6166551) is 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is CCc1ccc(NC2NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)S2)cc1.
What is the InChIKey of 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid?
The InChIKey is WWRDUVVZKOFKDE-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11,20-21H,2,12H2,1H3,(H,22,25)(H,23,24)/b17-11-.
What are the key properties of 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid?
2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid has a molecular weight of 384.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[2-(4-ethylanilino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6166551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).