ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate

C20H21NO4S — CID 508439

IUPACethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
SMILESCCOC(=O)C(C)N1C(=O)CSC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H21NO4S/c1-3-24-20(23)14(2)21-18(22)13-26-19(21)15-8-7-11-17(12-15)25-16-9-5-4-6-10-16/h4-12,14,19H,3,13H2,1-2H3
InChIKeyLGUROHQUYAYSDQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.00
Rot. Bonds6

About ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate

ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate (PubChem CID 508439) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
PubChem CID508439
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Nameethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
SMILESCCOC(=O)C(C)N1C(=O)CSC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H21NO4S/c1-3-24-20(23)14(2)21-18(22)13-26-19(21)15-8-7-11-17(12-15)25-16-9-5-4-6-10-16/h4-12,14,19H,3,13H2,1-2H3
InChIKeyLGUROHQUYAYSDQ-UHFFFAOYSA-N
XLogP4.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate?
The IUPAC name of ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate (CID 508439) is ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate.
What is the SMILES notation for ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate?
The canonical SMILES for ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate is CCOC(=O)C(C)N1C(=O)CSC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate?
The InChIKey is LGUROHQUYAYSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-3-24-20(23)14(2)21-18(22)13-26-19(21)15-8-7-11-17(12-15)25-16-9-5-4-6-10-16/h4-12,14,19H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate?
ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate has a molecular weight of 371.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoate is sourced from PubChem (CID 508439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).