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

C4H5NO2S — CID 91301993

IUPAC5-hydroxy-3-methyl-1,3-thiazol-2-one
SMILESCn1cc(O)sc1=O
InChIInChI=1S/C4H5NO2S/c1-5-2-3(6)8-4(5)7/h2,6H,1H3
InChIKeyPWAKXGAPOBUGJL-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.15
Rot. Bonds

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

5-hydroxy-3-methyl-1,3-thiazol-2-one (PubChem CID 91301993) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-1,3-thiazol-2-one
PubChem CID91301993
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name5-hydroxy-3-methyl-1,3-thiazol-2-one
SMILESCn1cc(O)sc1=O
InChIInChI=1S/C4H5NO2S/c1-5-2-3(6)8-4(5)7/h2,6H,1H3
InChIKeyPWAKXGAPOBUGJL-UHFFFAOYSA-N
XLogP0.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 53709471
4,5-Dihydroxy-3-methyl-1,3-thiazol-2-one
CID 54142958
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
3-Ethenyl-4-hydroxy-1,3-thiazol-2-one
CID 91061233
3-Ethyl-5-hydroxy-1,3-thiazol-2-one
CID 91228450
3-Ethenyl-5-hydroxy-1,3-thiazol-2-one
CID 91280927
5-hydroxy-2H-1,3-thiazole-3-carboxylic acid
CID 68952111

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-1,3-thiazol-2-one?
The IUPAC name of 5-hydroxy-3-methyl-1,3-thiazol-2-one (CID 91301993) is 5-hydroxy-3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-hydroxy-3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 5-hydroxy-3-methyl-1,3-thiazol-2-one is Cn1cc(O)sc1=O.
What is the InChIKey of 5-hydroxy-3-methyl-1,3-thiazol-2-one?
The InChIKey is PWAKXGAPOBUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c1-5-2-3(6)8-4(5)7/h2,6H,1H3.
What are the key properties of 5-hydroxy-3-methyl-1,3-thiazol-2-one?
5-hydroxy-3-methyl-1,3-thiazol-2-one has a molecular weight of 131.16 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 91301993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).