(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C14H9NO3S — CID 6196488

IUPAC(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1
InChIInChI=1S/C14H9NO3S/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)/b12-8-
InChIKeyFZGDBDUTUSHERH-WQLSENKSSA-N
MW271.30 g/mol
LogP3.27
Rot. Bonds2

About (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6196488) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6196488
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1
InChIInChI=1S/C14H9NO3S/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)/b12-8-
InChIKeyFZGDBDUTUSHERH-WQLSENKSSA-N
XLogP3.27
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
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-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 6196488) is (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3)o2)S1.
What is the InChIKey of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FZGDBDUTUSHERH-WQLSENKSSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-13-12(19-14(17)15-13)8-10-6-7-11(18-10)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)/b12-8-.
What are the key properties of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 271.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6196488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).