2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate

C11H17NO5S — CID 89483328

IUPAC2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate
SMILESCCOC(=O)C1(C)SCC(C(=O)OC)N1C(C)=O
InChIInChI=1S/C11H17NO5S/c1-5-17-10(15)11(3)12(7(2)13)8(6-18-11)9(14)16-4/h8H,5-6H2,1-4H3
InChIKeyNLMPOIFMKYLARJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.40
Rot. Bonds3

About 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate

2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate (PubChem CID 89483328) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate
PubChem CID89483328
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate
SMILESCCOC(=O)C1(C)SCC(C(=O)OC)N1C(C)=O
InChIInChI=1S/C11H17NO5S/c1-5-17-10(15)11(3)12(7(2)13)8(6-18-11)9(14)16-4/h8H,5-6H2,1-4H3
InChIKeyNLMPOIFMKYLARJ-UHFFFAOYSA-N
XLogP0.40
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate?
The IUPAC name of 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate (CID 89483328) is 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate?
The canonical SMILES for 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate is CCOC(=O)C1(C)SCC(C(=O)OC)N1C(C)=O.
What is the InChIKey of 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate?
The InChIKey is NLMPOIFMKYLARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-5-17-10(15)11(3)12(7(2)13)8(6-18-11)9(14)16-4/h8H,5-6H2,1-4H3.
What are the key properties of 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate?
2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate has a molecular weight of 275.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 4-O-methyl 3-acetyl-2-methyl-1,3-thiazolidine-2,4-dicarboxylate is sourced from PubChem (CID 89483328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).