2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione

C19H13FN2O2S — CID 1473493

IUPAC2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H13FN2O2S/c20-13-5-3-4-12(10-13)17-21-14(11-25-17)8-9-22-18(23)15-6-1-2-7-16(15)19(22)24/h1-7,10-11H,8-9H2
InChIKeyYTGSAHLSZMMNRT-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.79
Rot. Bonds4

About 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione

2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione (PubChem CID 1473493) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
PubChem CID1473493
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H13FN2O2S/c20-13-5-3-4-12(10-13)17-21-14(11-25-17)8-9-22-18(23)15-6-1-2-7-16(15)19(22)24/h1-7,10-11H,8-9H2
InChIKeyYTGSAHLSZMMNRT-UHFFFAOYSA-N
XLogP3.79
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.79
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 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione (CID 1473493) is 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The InChIKey is YTGSAHLSZMMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-13-5-3-4-12(10-13)17-21-14(11-25-17)8-9-22-18(23)15-6-1-2-7-16(15)19(22)24/h1-7,10-11H,8-9H2.
What are the key properties of 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione has a molecular weight of 352.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1473493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).