3-ethenyl-5-hydroxy-1,3-thiazol-2-one

C5H5NO2S — CID 91280927

IUPAC3-ethenyl-5-hydroxy-1,3-thiazol-2-one
SMILESC=Cn1cc(O)sc1=O
InChIInChI=1S/C5H5NO2S/c1-2-6-3-4(7)9-5(6)8/h2-3,7H,1H2
InChIKeyKJNITTHCPXZFPM-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.72
Rot. Bonds1

About 3-ethenyl-5-hydroxy-1,3-thiazol-2-one

3-ethenyl-5-hydroxy-1,3-thiazol-2-one (PubChem CID 91280927) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 3-ethenyl-5-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethenyl-5-hydroxy-1,3-thiazol-2-one
PubChem CID91280927
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name3-ethenyl-5-hydroxy-1,3-thiazol-2-one
SMILESC=Cn1cc(O)sc1=O
InChIInChI=1S/C5H5NO2S/c1-2-6-3-4(7)9-5(6)8/h2-3,7H,1H2
InChIKeyKJNITTHCPXZFPM-UHFFFAOYSA-N
XLogP0.72
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole-3-carboxylic acid
CID 22930385
2H-1,3-thiazole-3-carboxylic acid;hydrochloride
CID 66980836
2H-1,3-thiazole-3-carboxylic acid;hydrobromide
CID 69699407
3-Ethenyl-4-hydroxy-1,3-thiazol-2-one
CID 91061233
3-Ethyl-5-hydroxy-1,3-thiazol-2-one
CID 91228450
5-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 91301993
1-carboxy-2H-1,3-thiazol-1-ium-3-carboxylate
CID 172718868
sodium;hydride;2H-1,3-thiazole-3-carboxylic acid
CID 174751276
5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
CID 68952111
2H-1,3-thiazol-1-ium-1,3-dicarboxylic acid
CID 172718869

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-ethenyl-5-hydroxy-1,3-thiazol-2-one (CID 91280927) is 3-ethenyl-5-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethenyl-5-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-ethenyl-5-hydroxy-1,3-thiazol-2-one is C=Cn1cc(O)sc1=O.
What is the InChIKey of 3-ethenyl-5-hydroxy-1,3-thiazol-2-one?
The InChIKey is KJNITTHCPXZFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c1-2-6-3-4(7)9-5(6)8/h2-3,7H,1H2.
What are the key properties of 3-ethenyl-5-hydroxy-1,3-thiazol-2-one?
3-ethenyl-5-hydroxy-1,3-thiazol-2-one has a molecular weight of 143.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 91280927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).