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

C9H9BrN2O2S — CID 65298731

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ncc(Br)s2)C1=O
InChIInChI=1S/C9H9BrN2O2S/c1-9(2)3-6(13)12(7(9)14)8-11-4-5(10)15-8/h4H,3H2,1-2H3
InChIKeyHMVHPQZQPCGZAM-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.20
Rot. Bonds1

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

1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65298731) has the molecular formula C9H9BrN2O2S and a molecular weight of 289.15 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65298731
Molecular FormulaC9H9BrN2O2S
Molecular Weight289.15 g/mol
Exact Mass287.96
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2ncc(Br)s2)C1=O
InChIInChI=1S/C9H9BrN2O2S/c1-9(2)3-6(13)12(7(9)14)8-11-4-5(10)15-8/h4H,3H2,1-2H3
InChIKeyHMVHPQZQPCGZAM-UHFFFAOYSA-N
XLogP2.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.20
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)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione (CID 65298731) is 1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(c2ncc(Br)s2)C1=O.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is HMVHPQZQPCGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2S/c1-9(2)3-6(13)12(7(9)14)8-11-4-5(10)15-8/h4H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(5-bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 289.15 g/mol, XLogP of 2.20, 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)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65298731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).