5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one

C4H4BrNO2S — CID 90966181

IUPAC5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one
SMILESCn1c(O)c(Br)sc1=O
InChIInChI=1S/C4H4BrNO2S/c1-6-3(7)2(5)9-4(6)8/h7H,1H3
InChIKeyBHUKJXAZYXMFEQ-UHFFFAOYSA-N
MW210.05 g/mol
LogP0.91
Rot. Bonds

About 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one

5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one (PubChem CID 90966181) has the molecular formula C4H4BrNO2S and a molecular weight of 210.05 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one
PubChem CID90966181
Molecular FormulaC4H4BrNO2S
Molecular Weight210.05 g/mol
Exact Mass208.91
IUPAC Name5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one
SMILESCn1c(O)c(Br)sc1=O
InChIInChI=1S/C4H4BrNO2S/c1-6-3(7)2(5)9-4(6)8/h7H,1H3
InChIKeyBHUKJXAZYXMFEQ-UHFFFAOYSA-N
XLogP0.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.05
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dihydroxy-3-methyl-1,3-thiazol-2-one
CID 54142958

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one?
The IUPAC name of 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one (CID 90966181) is 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one is Cn1c(O)c(Br)sc1=O.
What is the InChIKey of 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one?
The InChIKey is BHUKJXAZYXMFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO2S/c1-6-3(7)2(5)9-4(6)8/h7H,1H3.
What are the key properties of 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one?
5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one has a molecular weight of 210.05 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 90966181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).