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

C12H8N2O2S — CID 2232117

IUPAC2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESCc1cnc(N2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C12H8N2O2S/c1-7-6-13-12(17-7)14-10(15)8-4-2-3-5-9(8)11(14)16/h2-6H,1H3
InChIKeyAMHZPAKRQGUVCK-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.25
Rot. Bonds1

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

2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione (PubChem CID 2232117) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione
PubChem CID2232117
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione
SMILESCc1cnc(N2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C12H8N2O2S/c1-7-6-13-12(17-7)14-10(15)8-4-2-3-5-9(8)11(14)16/h2-6H,1H3
InChIKeyAMHZPAKRQGUVCK-UHFFFAOYSA-N
XLogP2.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.25
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-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione (CID 2232117) is 2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione is Cc1cnc(N2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione?
The InChIKey is AMHZPAKRQGUVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c1-7-6-13-12(17-7)14-10(15)8-4-2-3-5-9(8)11(14)16/h2-6H,1H3.
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione?
2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione has a molecular weight of 244.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 2232117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).