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

C7H5BrN2O2S — CID 50987374

IUPAC1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ncc(Br)s1
InChIInChI=1S/C7H5BrN2O2S/c8-4-3-9-7(13-4)10-5(11)1-2-6(10)12/h3H,1-2H2
InChIKeyKNPVDHYVSUYHBN-UHFFFAOYSA-N
MW261.10 g/mol
LogP1.56
Rot. Bonds1

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

1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione (PubChem CID 50987374) has the molecular formula C7H5BrN2O2S and a molecular weight of 261.10 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione
PubChem CID50987374
Molecular FormulaC7H5BrN2O2S
Molecular Weight261.10 g/mol
Exact Mass259.93
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ncc(Br)s1
InChIInChI=1S/C7H5BrN2O2S/c8-4-3-9-7(13-4)10-5(11)1-2-6(10)12/h3H,1-2H2
InChIKeyKNPVDHYVSUYHBN-UHFFFAOYSA-N
XLogP1.56
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione (CID 50987374) is 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione?
The InChIKey is KNPVDHYVSUYHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2S/c8-4-3-9-7(13-4)10-5(11)1-2-6(10)12/h3H,1-2H2.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione?
1-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione has a molecular weight of 261.10 g/mol, XLogP of 1.56, 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)pyrrolidine-2,5-dione is sourced from PubChem (CID 50987374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).