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

C20H16N2O2S — CID 1473492

IUPAC2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
SMILESCc1ccc(-c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)cc1
InChIInChI=1S/C20H16N2O2S/c1-13-6-8-14(9-7-13)18-21-15(12-25-18)10-11-22-19(23)16-4-2-3-5-17(16)20(22)24/h2-9,12H,10-11H2,1H3
InChIKeyZXRDSEKYRJQASD-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.96
Rot. Bonds4

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

2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione (PubChem CID 1473492) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
PubChem CID1473492
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione
SMILESCc1ccc(-c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)cc1
InChIInChI=1S/C20H16N2O2S/c1-13-6-8-14(9-7-13)18-21-15(12-25-18)10-11-22-19(23)16-4-2-3-5-17(16)20(22)24/h2-9,12H,10-11H2,1H3
InChIKeyZXRDSEKYRJQASD-UHFFFAOYSA-N
XLogP3.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.96
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-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione (CID 1473492) is 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione is Cc1ccc(-c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)cc1.
What is the InChIKey of 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
The InChIKey is ZXRDSEKYRJQASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-6-8-14(9-7-13)18-21-15(12-25-18)10-11-22-19(23)16-4-2-3-5-17(16)20(22)24/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione has a molecular weight of 348.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1473492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).