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

C12H7FN2O2S — CID 67972204

IUPAC4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1Cc1cncs1
InChIInChI=1S/C12H7FN2O2S/c13-9-3-1-2-8-10(9)12(17)15(11(8)16)5-7-4-14-6-18-7/h1-4,6H,5H2
InChIKeyNBCBXFBPDMJJAO-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.08
Rot. Bonds2

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

4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione (PubChem CID 67972204) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione
PubChem CID67972204
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1Cc1cncs1
InChIInChI=1S/C12H7FN2O2S/c13-9-3-1-2-8-10(9)12(17)15(11(8)16)5-7-4-14-6-18-7/h1-4,6H,5H2
InChIKeyNBCBXFBPDMJJAO-UHFFFAOYSA-N
XLogP2.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
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-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione (CID 67972204) is 4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione is O=C1c2cccc(F)c2C(=O)N1Cc1cncs1.
What is the InChIKey of 4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione?
The InChIKey is NBCBXFBPDMJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-9-3-1-2-8-10(9)12(17)15(11(8)16)5-7-4-14-6-18-7/h1-4,6H,5H2.
What are the key properties of 4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione?
4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione has a molecular weight of 262.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 67972204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).