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

C18H15NO3S — CID 18836923

IUPAC(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccccc1N1C(=O)S/C(=C/C=C/c2ccco2)C1=O
InChIInChI=1S/C18H15NO3S/c1-2-13-7-3-4-10-15(13)19-17(20)16(23-18(19)21)11-5-8-14-9-6-12-22-14/h3-12H,2H2,1H3/b8-5+,16-11+
InChIKeyJFJOEQPTVIIWMB-FEPROMLASA-N
MW325.39 g/mol
LogP4.64
Rot. Bonds4

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

(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18836923) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18836923
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccccc1N1C(=O)S/C(=C/C=C/c2ccco2)C1=O
InChIInChI=1S/C18H15NO3S/c1-2-13-7-3-4-10-15(13)19-17(20)16(23-18(19)21)11-5-8-14-9-6-12-22-14/h3-12H,2H2,1H3/b8-5+,16-11+
InChIKeyJFJOEQPTVIIWMB-FEPROMLASA-N
XLogP4.64
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (CID 18836923) is (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is CCc1ccccc1N1C(=O)S/C(=C/C=C/c2ccco2)C1=O.
What is the InChIKey of (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is JFJOEQPTVIIWMB-FEPROMLASA-N. The full InChI is InChI=1S/C18H15NO3S/c1-2-13-7-3-4-10-15(13)19-17(20)16(23-18(19)21)11-5-8-14-9-6-12-22-14/h3-12H,2H2,1H3/b8-5+,16-11+.
What are the key properties of (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 325.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).