2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione

C15H12N2O3S — CID 103431092

IUPAC2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione
SMILESCC(=O)c1csc(N2C(=O)c3c(C)ccc(C)c3C2=O)n1
InChIInChI=1S/C15H12N2O3S/c1-7-4-5-8(2)12-11(7)13(19)17(14(12)20)15-16-10(6-21-15)9(3)18/h4-6H,1-3H3
InChIKeyQUNCVOJWDCCEDW-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione

2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103431092) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103431092
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione
SMILESCC(=O)c1csc(N2C(=O)c3c(C)ccc(C)c3C2=O)n1
InChIInChI=1S/C15H12N2O3S/c1-7-4-5-8(2)12-11(7)13(19)17(14(12)20)15-16-10(6-21-15)9(3)18/h4-6H,1-3H3
InChIKeyQUNCVOJWDCCEDW-UHFFFAOYSA-N
XLogP2.76
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione (CID 103431092) is 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione is CC(=O)c1csc(N2C(=O)c3c(C)ccc(C)c3C2=O)n1.
What is the InChIKey of 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is QUNCVOJWDCCEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-7-4-5-8(2)12-11(7)13(19)17(14(12)20)15-16-10(6-21-15)9(3)18/h4-6H,1-3H3.
What are the key properties of 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione?
2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 300.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1,3-thiazol-2-yl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103431092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).