4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione

C11H5FN2O2S — CID 67382610

IUPAC4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2-c1ncc(F)s1
InChIInChI=1S/C11H5FN2O2S/c12-7-4-13-11(17-7)6-3-1-2-5-8(6)10(16)14-9(5)15/h1-4H,(H,14,15,16)
InChIKeyLPBRGZRFFVLQLT-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.83
Rot. Bonds1

About 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione

4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione (PubChem CID 67382610) has the molecular formula C11H5FN2O2S and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione
PubChem CID67382610
Molecular FormulaC11H5FN2O2S
Molecular Weight248.24 g/mol
Exact Mass248.01
IUPAC Name4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2-c1ncc(F)s1
InChIInChI=1S/C11H5FN2O2S/c12-7-4-13-11(17-7)6-3-1-2-5-8(6)10(16)14-9(5)15/h1-4H,(H,14,15,16)
InChIKeyLPBRGZRFFVLQLT-UHFFFAOYSA-N
XLogP1.83
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione (CID 67382610) is 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione is O=C1NC(=O)c2c1cccc2-c1ncc(F)s1.
What is the InChIKey of 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione?
The InChIKey is LPBRGZRFFVLQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5FN2O2S/c12-7-4-13-11(17-7)6-3-1-2-5-8(6)10(16)14-9(5)15/h1-4H,(H,14,15,16).
What are the key properties of 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione?
4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione has a molecular weight of 248.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1,3-thiazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 67382610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).