ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate

C11H18N2O4S — CID 162400560

IUPACethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate
SMILESCCOC(=O)C/N=C1\SCCN1CC(=O)OCC
InChIInChI=1S/C11H18N2O4S/c1-3-16-9(14)7-12-11-13(5-6-18-11)8-10(15)17-4-2/h3-8H2,1-2H3/b12-11-
InChIKeyZVZVAYJTCPKIBL-QXMHVHEDSA-N
MW274.34 g/mol
LogP0.52
Rot. Bonds6

About ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate

ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate (PubChem CID 162400560) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate
PubChem CID162400560
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate
SMILESCCOC(=O)C/N=C1\SCCN1CC(=O)OCC
InChIInChI=1S/C11H18N2O4S/c1-3-16-9(14)7-12-11-13(5-6-18-11)8-10(15)17-4-2/h3-8H2,1-2H3/b12-11-
InChIKeyZVZVAYJTCPKIBL-QXMHVHEDSA-N
XLogP0.52
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate?
The IUPAC name of ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate (CID 162400560) is ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate is CCOC(=O)C/N=C1\SCCN1CC(=O)OCC.
What is the InChIKey of ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate?
The InChIKey is ZVZVAYJTCPKIBL-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-16-9(14)7-12-11-13(5-6-18-11)8-10(15)17-4-2/h3-8H2,1-2H3/b12-11-.
What are the key properties of ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate?
ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate has a molecular weight of 274.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-thiazolidin-2-ylidene]amino]acetate is sourced from PubChem (CID 162400560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).