(5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C10H7NO3S — CID 6997502

IUPAC(5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2O)S1
InChIInChI=1S/C10H7NO3S/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5+
InChIKeyIZVVCHFDGJEVTB-VMPITWQZSA-N
MW221.24 g/mol
LogP1.72
Rot. Bonds1

About (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6997502) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6997502
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name(5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccccc2O)S1
InChIInChI=1S/C10H7NO3S/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5+
InChIKeyIZVVCHFDGJEVTB-VMPITWQZSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
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)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 6997502) is (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccccc2O)S1.
What is the InChIKey of (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is IZVVCHFDGJEVTB-VMPITWQZSA-N. The full InChI is InChI=1S/C10H7NO3S/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5+.
What are the key properties of (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 221.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6997502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).