spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione

C15H9NO2S — CID 14075043

IUPACspiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione
SMILESO=C1NC(=O)C2(S1)c1ccccc1-c1ccccc12
InChIInChI=1S/C15H9NO2S/c17-13-15(19-14(18)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H,16,17,18)
InChIKeyVWMGJHRXYVRJMY-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.89
Rot. Bonds

About spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione

spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione (PubChem CID 14075043) has the molecular formula C15H9NO2S and a molecular weight of 267.31 g/mol. Its IUPAC name is spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione.

Molecular Properties

Compound Namespiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione
PubChem CID14075043
Molecular FormulaC15H9NO2S
Molecular Weight267.31 g/mol
Exact Mass267.04
IUPAC Namespiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione
SMILESO=C1NC(=O)C2(S1)c1ccccc1-c1ccccc12
InChIInChI=1S/C15H9NO2S/c17-13-15(19-14(18)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H,16,17,18)
InChIKeyVWMGJHRXYVRJMY-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione?
The IUPAC name of spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione (CID 14075043) is spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione.
What is the SMILES notation for spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione?
The canonical SMILES for spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione is O=C1NC(=O)C2(S1)c1ccccc1-c1ccccc12.
What is the InChIKey of spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione?
The InChIKey is VWMGJHRXYVRJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO2S/c17-13-15(19-14(18)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H,(H,16,17,18).
What are the key properties of spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione?
spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-thiazolidine-5,9'-fluorene]-2,4-dione is sourced from PubChem (CID 14075043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).