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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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).