ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate

C16H21NO4S — CID 3043300

IUPACethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C(C(=O)OCC)c2ccccc2)N1
InChIInChI=1S/C16H21NO4S/c1-3-20-15(18)12-10-22-14(17-12)13(16(19)21-4-2)11-8-6-5-7-9-11/h5-9,12-14,17H,3-4,10H2,1-2H3
InChIKeyGYWXIPVJXCUFMP-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.93
Rot. Bonds6

About ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate

ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 3043300) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate
PubChem CID3043300
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Nameethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C(C(=O)OCC)c2ccccc2)N1
InChIInChI=1S/C16H21NO4S/c1-3-20-15(18)12-10-22-14(17-12)13(16(19)21-4-2)11-8-6-5-7-9-11/h5-9,12-14,17H,3-4,10H2,1-2H3
InChIKeyGYWXIPVJXCUFMP-UHFFFAOYSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate (CID 3043300) is ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(C(C(=O)OCC)c2ccccc2)N1.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is GYWXIPVJXCUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-3-20-15(18)12-10-22-14(17-12)13(16(19)21-4-2)11-8-6-5-7-9-11/h5-9,12-14,17H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate?
ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 323.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxo-1-phenylethyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 3043300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).