1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione

C8H7BrN2O2S — CID 61036931

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2ncc(Br)s2)C1=O
InChIInChI=1S/C8H7BrN2O2S/c1-4-2-6(12)11(7(4)13)8-10-3-5(9)14-8/h3-4H,2H2,1H3
InChIKeyUEELCNPMXFMWDI-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.80
Rot. Bonds1

About 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione

1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61036931) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione
PubChem CID61036931
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2ncc(Br)s2)C1=O
InChIInChI=1S/C8H7BrN2O2S/c1-4-2-6(12)11(7(4)13)8-10-3-5(9)14-8/h3-4H,2H2,1H3
InChIKeyUEELCNPMXFMWDI-UHFFFAOYSA-N
XLogP1.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.80
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 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione (CID 61036931) is 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(c2ncc(Br)s2)C1=O.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is UEELCNPMXFMWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c1-4-2-6(12)11(7(4)13)8-10-3-5(9)14-8/h3-4H,2H2,1H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione?
1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 275.13 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61036931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).