5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione

C13H11NO3S — CID 1279205

IUPAC5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)SC(=CC=Cc2ccco2)C1=O
InChIInChI=1S/C13H11NO3S/c1-2-8-14-12(15)11(18-13(14)16)7-3-5-10-6-4-9-17-10/h2-7,9H,1,8H2
InChIKeyREMYUMOOMRLJCM-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.06
Rot. Bonds4

About 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione

5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione (PubChem CID 1279205) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
PubChem CID1279205
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
SMILESC=CCN1C(=O)SC(=CC=Cc2ccco2)C1=O
InChIInChI=1S/C13H11NO3S/c1-2-8-14-12(15)11(18-13(14)16)7-3-5-10-6-4-9-17-10/h2-7,9H,1,8H2
InChIKeyREMYUMOOMRLJCM-UHFFFAOYSA-N
XLogP3.06
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5051464
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126241743
(2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845962
3-(furan-2-ylmethyl)-5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1318685
5-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1233402
(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 18836923
3-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 6378215
6-[5-[3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 3723763
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6388341
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-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126023175
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione (CID 1279205) is 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione is C=CCN1C(=O)SC(=CC=Cc2ccco2)C1=O.
What is the InChIKey of 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
The InChIKey is REMYUMOOMRLJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-2-8-14-12(15)11(18-13(14)16)7-3-5-10-6-4-9-17-10/h2-7,9H,1,8H2.
What are the key properties of 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione?
5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione has a molecular weight of 261.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1279205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).