3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one

C5H6BrNO2S — CID 54406320

IUPAC3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCBr
InChIInChI=1S/C5H6BrNO2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,1-2H2
InChIKeyVQYCARXOAYYVQU-UHFFFAOYSA-N
MW224.08 g/mol
LogP1.01
Rot. Bonds2

About 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one

3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one (PubChem CID 54406320) has the molecular formula C5H6BrNO2S and a molecular weight of 224.08 g/mol. Its IUPAC name is 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one
PubChem CID54406320
Molecular FormulaC5H6BrNO2S
Molecular Weight224.08 g/mol
Exact Mass222.93
IUPAC Name3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCBr
InChIInChI=1S/C5H6BrNO2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,1-2H2
InChIKeyVQYCARXOAYYVQU-UHFFFAOYSA-N
XLogP1.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Bromobutyl)-4-hydroxy-1,3-thiazol-2-one
CID 53748163
3-(Bromomethyl)-4-hydroxy-1,3-thiazol-2-one
CID 53892574
3-(3-Bromobutyl)-4-hydroxy-1,3-thiazol-2-one
CID 54032066
3-(3-Bromopropyl)-4-hydroxy-1,3-thiazol-2-one
CID 54253012
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
3-(2-Bromoethyl)-1,3-thiazol-2-one
CID 63312834

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one (CID 54406320) is 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one is O=c1scc(O)n1CCBr.
What is the InChIKey of 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is VQYCARXOAYYVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,1-2H2.
What are the key properties of 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one?
3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 224.08 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 54406320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).