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

C16H11NO3S — CID 6376784

IUPAC(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H11NO3S/c18-15-14(10-4-8-13-9-5-11-20-13)21-16(19)17(15)12-6-2-1-3-7-12/h1-11H/b8-4+,14-10-
InChIKeyKCTVFQLEIJFNLZ-NDUUIVGLSA-N
MW297.34 g/mol
LogP4.08
Rot. Bonds3

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

(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 6376784) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID6376784
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H11NO3S/c18-15-14(10-4-8-13-9-5-11-20-13)21-16(19)17(15)12-6-2-1-3-7-12/h1-11H/b8-4+,14-10-
InChIKeyKCTVFQLEIJFNLZ-NDUUIVGLSA-N
XLogP4.08
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.08
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 (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 6376784) is (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\C=C\c2ccco2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is KCTVFQLEIJFNLZ-NDUUIVGLSA-N. The full InChI is InChI=1S/C16H11NO3S/c18-15-14(10-4-8-13-9-5-11-20-13)21-16(19)17(15)12-6-2-1-3-7-12/h1-11H/b8-4+,14-10-.
What are the key properties of (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 297.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6376784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).