2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione

C18H12N2O2S — CID 50878146

IUPAC2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C18H12N2O2S/c21-17-14-6-1-2-7-15(14)18(22)20(17)11-12-4-3-5-13(10-12)16-19-8-9-23-16/h1-10H,11H2
InChIKeyGDAPSWYBGPZFQO-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.61
Rot. Bonds3

About 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione

2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione (PubChem CID 50878146) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione
PubChem CID50878146
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C18H12N2O2S/c21-17-14-6-1-2-7-15(14)18(22)20(17)11-12-4-3-5-13(10-12)16-19-8-9-23-16/h1-10H,11H2
InChIKeyGDAPSWYBGPZFQO-UHFFFAOYSA-N
XLogP3.61
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.61
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-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione (CID 50878146) is 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cccc(-c2nccs2)c1.
What is the InChIKey of 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione?
The InChIKey is GDAPSWYBGPZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-17-14-6-1-2-7-15(14)18(22)20(17)11-12-4-3-5-13(10-12)16-19-8-9-23-16/h1-10H,11H2.
What are the key properties of 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione?
2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione has a molecular weight of 320.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 50878146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).