dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate

C13H20N2O6S — CID 3697226

IUPACdimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(=O)OC)N1C(=O)CN1CCOCC1
InChIInChI=1S/C13H20N2O6S/c1-19-12(17)9-8-22-11(13(18)20-2)15(9)10(16)7-14-3-5-21-6-4-14/h9,11H,3-8H2,1-2H3
InChIKeyIEIZSHFXFPDFOJ-UHFFFAOYSA-N
MW332.38 g/mol
LogP-1.07
Rot. Bonds4

About dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate

dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 3697226) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID3697226
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC Namedimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate
SMILESCOC(=O)C1CSC(C(=O)OC)N1C(=O)CN1CCOCC1
InChIInChI=1S/C13H20N2O6S/c1-19-12(17)9-8-22-11(13(18)20-2)15(9)10(16)7-14-3-5-21-6-4-14/h9,11H,3-8H2,1-2H3
InChIKeyIEIZSHFXFPDFOJ-UHFFFAOYSA-N
XLogP-1.07
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate (CID 3697226) is dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate is COC(=O)C1CSC(C(=O)OC)N1C(=O)CN1CCOCC1.
What is the InChIKey of dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is IEIZSHFXFPDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-19-12(17)9-8-22-11(13(18)20-2)15(9)10(16)7-14-3-5-21-6-4-14/h9,11H,3-8H2,1-2H3.
What are the key properties of dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate?
dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 332.38 g/mol, XLogP of -1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 3697226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).