ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate

C13H15NO3S — CID 23823184

IUPACethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C13H15NO3S/c1-2-17-12(16)8-14-11(15)9-18-13(14)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3
InChIKeyHQIOWZMPKDBFKE-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.82
Rot. Bonds4

About ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate

ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate (PubChem CID 23823184) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate
PubChem CID23823184
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Nameethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C13H15NO3S/c1-2-17-12(16)8-14-11(15)9-18-13(14)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3
InChIKeyHQIOWZMPKDBFKE-UHFFFAOYSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate (CID 23823184) is ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate is CCOC(=O)CN1C(=O)CSC1c1ccccc1.
What is the InChIKey of ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate?
The InChIKey is HQIOWZMPKDBFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-2-17-12(16)8-14-11(15)9-18-13(14)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3.
What are the key properties of ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate?
ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate has a molecular weight of 265.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 23823184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).