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

C6H7NO2S — CID 90698986

IUPAC5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one
SMILESC=Cc1sc(=O)n(C)c1O
InChIInChI=1S/C6H7NO2S/c1-3-4-5(8)7(2)6(9)10-4/h3,8H,1H2,2H3
InChIKeyFQTHRFPZLCKIJM-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.80
Rot. Bonds1

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

5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one (PubChem CID 90698986) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one
PubChem CID90698986
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one
SMILESC=Cc1sc(=O)n(C)c1O
InChIInChI=1S/C6H7NO2S/c1-3-4-5(8)7(2)6(9)10-4/h3,8H,1H2,2H3
InChIKeyFQTHRFPZLCKIJM-UHFFFAOYSA-N
XLogP0.80
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-3,5-dimethyl-1,3-thiazol-2-one
CID 54493826
4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one
CID 90802526
5-Ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one
CID 91384675

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one?
The IUPAC name of 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one (CID 90698986) is 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one?
The canonical SMILES for 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one is C=Cc1sc(=O)n(C)c1O.
What is the InChIKey of 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one?
The InChIKey is FQTHRFPZLCKIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-3-4-5(8)7(2)6(9)10-4/h3,8H,1H2,2H3.
What are the key properties of 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one?
5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one has a molecular weight of 157.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 90698986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).