4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one

C4H5NO3S — CID 54447903

IUPAC4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one
SMILESCN1C(=O)S(=O)C=C1O
InChIInChI=1S/C4H5NO3S/c1-5-3(6)2-9(8)4(5)7/h2,6H,1H3
InChIKeyWSVOQZQYDORYKW-UHFFFAOYSA-N
MW147.16 g/mol
LogP0.16
Rot. Bonds

About 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one

4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one (PubChem CID 54447903) has the molecular formula C4H5NO3S and a molecular weight of 147.16 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one
PubChem CID54447903
Molecular FormulaC4H5NO3S
Molecular Weight147.16 g/mol
Exact Mass147.00
IUPAC Name4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one
SMILESCN1C(=O)S(=O)C=C1O
InChIInChI=1S/C4H5NO3S/c1-5-3(6)2-9(8)4(5)7/h2,6H,1H3
InChIKeyWSVOQZQYDORYKW-UHFFFAOYSA-N
XLogP0.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 53709471
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
3-Methyl-2-oxo-1,3-thiazol-4-olate
CID 59024639
4-Hydroxy-3-(methoxymethyl)-1,3-thiazol-2-one
CID 124012176

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one (CID 54447903) is 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one is CN1C(=O)S(=O)C=C1O.
What is the InChIKey of 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one?
The InChIKey is WSVOQZQYDORYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3S/c1-5-3(6)2-9(8)4(5)7/h2,6H,1H3.
What are the key properties of 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one?
4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one has a molecular weight of 147.16 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-1-oxo-1,3-thiazol-2-one is sourced from PubChem (CID 54447903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).