ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate

C19H26N2O5S — CID 23737861

IUPACethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C1SCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C19H26N2O5S/c1-2-25-18(23)13-26-16-6-4-3-5-15(16)19-21(17(22)14-27-19)8-7-20-9-11-24-12-10-20/h3-6,19H,2,7-14H2,1H3
InChIKeyMFLVLTOLLAIDBI-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.53
Rot. Bonds8

About ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate

ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate (PubChem CID 23737861) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate
PubChem CID23737861
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Nameethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C1SCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C19H26N2O5S/c1-2-25-18(23)13-26-16-6-4-3-5-15(16)19-21(17(22)14-27-19)8-7-20-9-11-24-12-10-20/h3-6,19H,2,7-14H2,1H3
InChIKeyMFLVLTOLLAIDBI-UHFFFAOYSA-N
XLogP1.53
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate (CID 23737861) is ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate is CCOC(=O)COc1ccccc1C1SCC(=O)N1CCN1CCOCC1.
What is the InChIKey of ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate?
The InChIKey is MFLVLTOLLAIDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-2-25-18(23)13-26-16-6-4-3-5-15(16)19-21(17(22)14-27-19)8-7-20-9-11-24-12-10-20/h3-6,19H,2,7-14H2,1H3.
What are the key properties of ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate?
ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate has a molecular weight of 394.49 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate is sourced from PubChem (CID 23737861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).