ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate

C18H16N2O4S — CID 2850048

IUPACethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC2SC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-24-17(22)12-8-10-13(11-9-12)19-15-16(21)20(18(23)25-15)14-6-4-3-5-7-14/h3-11,15,19H,2H2,1H3
InChIKeyWSIAIDWTZAUDJV-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.50
Rot. Bonds5

About ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate

ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate (PubChem CID 2850048) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate
PubChem CID2850048
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Nameethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC2SC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16N2O4S/c1-2-24-17(22)12-8-10-13(11-9-12)19-15-16(21)20(18(23)25-15)14-6-4-3-5-7-14/h3-11,15,19H,2H2,1H3
InChIKeyWSIAIDWTZAUDJV-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[(5S)-3-[(4-ethoxycarbonylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 7345760
ethyl 2-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4735938
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3107998
ethyl 4-[[(5R)-3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoate
CID 51566662
4-[[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 3446167
(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1380334
ethyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate
CID 3151731
(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7345725
(5S)-5-(4-ethoxyanilino)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40636953
ethyl 4-[[2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]benzoate
CID 4279022
ethyl 4-[(3S)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1147346
ethyl 4-[[2-[(4R)-3-[(4-methylphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774792

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate (CID 2850048) is ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate is CCOC(=O)c1ccc(NC2SC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate?
The InChIKey is WSIAIDWTZAUDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-24-17(22)12-8-10-13(11-9-12)19-15-16(21)20(18(23)25-15)14-6-4-3-5-7-14/h3-11,15,19H,2H2,1H3.
What are the key properties of ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate?
ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate has a molecular weight of 356.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate is sourced from PubChem (CID 2850048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).