ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C11H17NO4S — CID 6447372

IUPACethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOCCN1C(=O)CS/C1=C/C(=O)OCC
InChIInChI=1S/C11H17NO4S/c1-3-15-6-5-12-9(13)8-17-10(12)7-11(14)16-4-2/h7H,3-6,8H2,1-2H3/b10-7+
InChIKeyAIDZNDQLKZXKOS-JXMROGBWSA-N
MW259.33 g/mol
LogP1.00
Rot. Bonds6

About ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 6447372) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID6447372
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Nameethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCOCCN1C(=O)CS/C1=C/C(=O)OCC
InChIInChI=1S/C11H17NO4S/c1-3-15-6-5-12-9(13)8-17-10(12)7-11(14)16-4-2/h7H,3-6,8H2,1-2H3/b10-7+
InChIKeyAIDZNDQLKZXKOS-JXMROGBWSA-N
XLogP1.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 6447372) is ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOCCN1C(=O)CS/C1=C/C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is AIDZNDQLKZXKOS-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-3-15-6-5-12-9(13)8-17-10(12)7-11(14)16-4-2/h7H,3-6,8H2,1-2H3/b10-7+.
What are the key properties of ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 259.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[3-(2-ethoxyethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 6447372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).