5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C15H11NO4S — CID 75180741

IUPAC5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(OCc3ccco3)cc2)S1
InChIInChI=1S/C15H11NO4S/c17-14-13(21-15(18)16-14)8-10-3-5-11(6-4-10)20-9-12-2-1-7-19-12/h1-8H,9H2,(H,16,17,18)
InChIKeyNRVIUQVTXHGWQR-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.18
Rot. Bonds4

About 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 75180741) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID75180741
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(OCc3ccco3)cc2)S1
InChIInChI=1S/C15H11NO4S/c17-14-13(21-15(18)16-14)8-10-3-5-11(6-4-10)20-9-12-2-1-7-19-12/h1-8H,9H2,(H,16,17,18)
InChIKeyNRVIUQVTXHGWQR-UHFFFAOYSA-N
XLogP3.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 75180741) is 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(OCc3ccco3)cc2)S1.
What is the InChIKey of 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NRVIUQVTXHGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c17-14-13(21-15(18)16-14)8-10-3-5-11(6-4-10)20-9-12-2-1-7-19-12/h1-8H,9H2,(H,16,17,18).
What are the key properties of 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 301.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(furan-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 75180741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).