ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate

C18H17NO3S — CID 117065587

IUPACethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate
SMILESCCOC(=O)C1SC(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17NO3S/c1-2-22-18(21)15-16(20)19(14-11-7-4-8-12-14)17(23-15)13-9-5-3-6-10-13/h3-12,15,17H,2H2,1H3
InChIKeySNWFJMSRTIONGG-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.40
Rot. Bonds4

About ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate

ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate (PubChem CID 117065587) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate
PubChem CID117065587
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Nameethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate
SMILESCCOC(=O)C1SC(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17NO3S/c1-2-22-18(21)15-16(20)19(14-11-7-4-8-12-14)17(23-15)13-9-5-3-6-10-13/h3-12,15,17H,2H2,1H3
InChIKeySNWFJMSRTIONGG-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 15261796
ethyl 4-anilino-5-oxo-1,3-diphenylimidazolidine-2-carboxylate
CID 102027595
ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
CID 102320644
ethyl 3,5-dioxo-2-phenyl-1,2,6-thiadiazinane-4-carboxylate
CID 57318188
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
diethyl (1S,3S,3aS,6aR)-4,6-dioxo-5-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-1,3-dicarboxylate
CID 71519265
ethyl (2S,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
CID 14868335
ethyl (3R,3aR,6aS)-5-methyl-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
CID 138973973
ethyl (2R,3R)-3-methyl-4,5-dioxo-1,2-diphenylpyrrolidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate?
The IUPAC name of ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate (CID 117065587) is ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate?
The canonical SMILES for ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate is CCOC(=O)C1SC(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate?
The InChIKey is SNWFJMSRTIONGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-2-22-18(21)15-16(20)19(14-11-7-4-8-12-14)17(23-15)13-9-5-3-6-10-13/h3-12,15,17H,2H2,1H3.
What are the key properties of ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate?
ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate has a molecular weight of 327.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2,3-diphenyl-1,3-thiazolidine-5-carboxylate is sourced from PubChem (CID 117065587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).