5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C14H14N2O3S — CID 75571053

IUPAC5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccccc2N2CCOCC2)S1
InChIInChI=1S/C14H14N2O3S/c17-13-12(20-14(18)15-13)9-10-3-1-2-4-11(10)16-5-7-19-8-6-16/h1-4,9H,5-8H2,(H,15,17,18)
InChIKeyVAAMMLMAPAFDMT-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.85
Rot. Bonds2

About 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 75571053) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID75571053
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccccc2N2CCOCC2)S1
InChIInChI=1S/C14H14N2O3S/c17-13-12(20-14(18)15-13)9-10-3-1-2-4-11(10)16-5-7-19-8-6-16/h1-4,9H,5-8H2,(H,15,17,18)
InChIKeyVAAMMLMAPAFDMT-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.85
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-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 75571053) is 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccccc2N2CCOCC2)S1.
What is the InChIKey of 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is VAAMMLMAPAFDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13-12(20-14(18)15-13)9-10-3-1-2-4-11(10)16-5-7-19-8-6-16/h1-4,9H,5-8H2,(H,15,17,18).
What are the key properties of 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 290.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 75571053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).