4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one

C5H7NO2S — CID 54493826

IUPAC4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(C)c1O
InChIInChI=1S/C5H7NO2S/c1-3-4(7)6(2)5(8)9-3/h7H,1-2H3
InChIKeyXXRCNTCJCKSAJZ-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.46
Rot. Bonds

About 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one

4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one (PubChem CID 54493826) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one
PubChem CID54493826
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(C)c1O
InChIInChI=1S/C5H7NO2S/c1-3-4(7)6(2)5(8)9-3/h7H,1-2H3
InChIKeyXXRCNTCJCKSAJZ-UHFFFAOYSA-N
XLogP0.46
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.46
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
5-Ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one
CID 90698986

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one (CID 54493826) is 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(C)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is XXRCNTCJCKSAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-3-4(7)6(2)5(8)9-3/h7H,1-2H3.
What are the key properties of 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one?
4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 54493826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).