3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C6H5BrN2OS2 — CID 54507013

IUPAC3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1ncc(Br)s1
InChIInChI=1S/C6H5BrN2OS2/c7-4-1-8-6(12-4)9-3-11-2-5(9)10/h1H,2-3H2
InChIKeyYGKUUTFQQZNOQY-UHFFFAOYSA-N
MW265.16 g/mol
LogP1.94
Rot. Bonds1

About 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 54507013) has the molecular formula C6H5BrN2OS2 and a molecular weight of 265.16 g/mol. Its IUPAC name is 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID54507013
Molecular FormulaC6H5BrN2OS2
Molecular Weight265.16 g/mol
Exact Mass263.90
IUPAC Name3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1c1ncc(Br)s1
InChIInChI=1S/C6H5BrN2OS2/c7-4-1-8-6(12-4)9-3-11-2-5(9)10/h1H,2-3H2
InChIKeyYGKUUTFQQZNOQY-UHFFFAOYSA-N
XLogP1.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Acetamido-5-bromo-1,3-thiazole
CID 350260
2-Imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 607976
1-(5-Bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione
CID 50987374
Thiazolyl-thiazolidine-2,4-dione
CID 129820905
Thiazol-2-ylthiazolidinone
CID 129761745
2-Methyl-3-(1,3-thiazol-2-yl)thiazolidin-4-one
CID 331268
N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 14442020
3-(5-Bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one
CID 54369296
N-(5-Bromothiazol-2-yl)-N-methylacetamide
CID 67147803
1-(5-Bromo-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 78911639
2-Sulfanylidene-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 88727745
1-(5-Bromo-1,3-thiazol-2-yl)-1-ethylurea
CID 174432181

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 54507013) is 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is O=C1CSCN1c1ncc(Br)s1.
What is the InChIKey of 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is YGKUUTFQQZNOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2OS2/c7-4-1-8-6(12-4)9-3-11-2-5(9)10/h1H,2-3H2.
What are the key properties of 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 265.16 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 54507013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).