ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

C15H15NO5S — CID 126023175

IUPACethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
SMILESCCOC(=O)[C@H](C)N1C(=O)S/C(=C/C=C/c2ccco2)C1=O
InChIInChI=1S/C15H15NO5S/c1-3-20-14(18)10(2)16-13(17)12(22-15(16)19)8-4-6-11-7-5-9-21-11/h4-10H,3H2,1-2H3/b6-4+,12-8+/t10-/m0/s1
InChIKeyDTULXNBAFUYWLC-DLOCPLPGSA-N
MW321.35 g/mol
LogP2.82
Rot. Bonds5

About ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (PubChem CID 126023175) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
PubChem CID126023175
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Nameethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
SMILESCCOC(=O)[C@H](C)N1C(=O)S/C(=C/C=C/c2ccco2)C1=O
InChIInChI=1S/C15H15NO5S/c1-3-20-14(18)10(2)16-13(17)12(22-15(16)19)8-4-6-11-7-5-9-21-11/h4-10H,3H2,1-2H3/b6-4+,12-8+/t10-/m0/s1
InChIKeyDTULXNBAFUYWLC-DLOCPLPGSA-N
XLogP2.82
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126023176
ethyl (2S)-2-[5-[3-(4-methoxyphenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 1209741
ethyl (2R)-2-[(5E)-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 6874132
methyl (2R)-2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 7322278
(2R)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylpentanoic acid
CID 34552867
ethyl 2-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 19183245
ethyl (2R)-2-[(5E)-2,4-dioxo-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoate
CID 126016075
2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
CID 6289793
4-[(Z)-[3-(1-ethoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 6109825
(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 18836923
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126241743
ethyl (2S)-2-[(5Z)-5-[(3-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 7296882

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The IUPAC name of ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CID 126023175) is ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
What is the SMILES notation for ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The canonical SMILES for ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is CCOC(=O)[C@H](C)N1C(=O)S/C(=C/C=C/c2ccco2)C1=O.
What is the InChIKey of ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The InChIKey is DTULXNBAFUYWLC-DLOCPLPGSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-3-20-14(18)10(2)16-13(17)12(22-15(16)19)8-4-6-11-7-5-9-21-11/h4-10H,3H2,1-2H3/b6-4+,12-8+/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate has a molecular weight of 321.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is sourced from PubChem (CID 126023175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).