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

C6H5BrN2O2S2 — CID 54369296

IUPAC3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one
SMILESO=C1C(O)SCN1c1ncc(Br)s1
InChIInChI=1S/C6H5BrN2O2S2/c7-3-1-8-6(13-3)9-2-12-5(11)4(9)10/h1,5,11H,2H2
InChIKeyUSAAMDIKOQJEKC-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.26
Rot. Bonds1

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

3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one (PubChem CID 54369296) has the molecular formula C6H5BrN2O2S2 and a molecular weight of 281.16 g/mol. Its IUPAC name is 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one
PubChem CID54369296
Molecular FormulaC6H5BrN2O2S2
Molecular Weight281.16 g/mol
Exact Mass279.90
IUPAC Name3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one
SMILESO=C1C(O)SCN1c1ncc(Br)s1
InChIInChI=1S/C6H5BrN2O2S2/c7-3-1-8-6(13-3)9-2-12-5(11)4(9)10/h1,5,11H,2H2
InChIKeyUSAAMDIKOQJEKC-UHFFFAOYSA-N
XLogP1.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one (CID 54369296) is 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one is O=C1C(O)SCN1c1ncc(Br)s1.
What is the InChIKey of 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one?
The InChIKey is USAAMDIKOQJEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2S2/c7-3-1-8-6(13-3)9-2-12-5(11)4(9)10/h1,5,11H,2H2.
What are the key properties of 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one?
3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one has a molecular weight of 281.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-thiazol-2-yl)-5-hydroxy-1,3-thiazolidin-4-one is sourced from PubChem (CID 54369296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).