ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate

C11H10N2O5S — CID 142623389

IUPACethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n([C@H]2SC(=O)NC2=O)c1
InChIInChI=1S/C11H10N2O5S/c1-2-18-10(16)6-3-4-7(14)13(5-6)9-8(15)12-11(17)19-9/h3-5,9H,2H2,1H3,(H,12,15,17)/t9-/m0/s1
InChIKeyNTLJSLILDSKRJB-VIFPVBQESA-N
MW282.28 g/mol
LogP0.51
Rot. Bonds3

About ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate

ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate (PubChem CID 142623389) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate
PubChem CID142623389
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Nameethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n([C@H]2SC(=O)NC2=O)c1
InChIInChI=1S/C11H10N2O5S/c1-2-18-10(16)6-3-4-7(14)13(5-6)9-8(15)12-11(17)19-9/h3-5,9H,2H2,1H3,(H,12,15,17)/t9-/m0/s1
InChIKeyNTLJSLILDSKRJB-VIFPVBQESA-N
XLogP0.51
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]benzoate
CID 3151731
ethyl 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate
CID 11278480
ethyl 1-tert-butyl-6-oxopyridine-3-carboxylate
CID 67056855
ethyl 4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 1247940
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate (CID 142623389) is ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(=O)n([C@H]2SC(=O)NC2=O)c1.
What is the InChIKey of ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate?
The InChIKey is NTLJSLILDSKRJB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-2-18-10(16)6-3-4-7(14)13(5-6)9-8(15)12-11(17)19-9/h3-5,9H,2H2,1H3,(H,12,15,17)/t9-/m0/s1.
What are the key properties of ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate?
ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate has a molecular weight of 282.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 142623389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).