4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

C10H9NO4S — CID 13186358

IUPAC4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C10H9NO4S/c1-11-10(13)8(12)9(16(11,14)15)7-5-3-2-4-6-7/h2-6,12H,1H3
InChIKeyKQMNZOZTUPLSSN-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.71
Rot. Bonds1

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

4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 13186358) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID13186358
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C10H9NO4S/c1-11-10(13)8(12)9(16(11,14)15)7-5-3-2-4-6-7/h2-6,12H,1H3
InChIKeyKQMNZOZTUPLSSN-UHFFFAOYSA-N
XLogP0.71
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide
CID 685539
2-(4-Methyl-1,1,3-trioxo-5-phenyl-1,2-thiazol-2-yl)acetic acid
CID 45106365
2-Ethyl-4-hydroxy-5-[4-(trifluoromethyl)phenyl]isothiazol-3(2H)-one 1,1-dioxide
CID 68661688
Potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate
CID 161202988
3-Hydroxy-1-(toluene-4-sulfonyl)-1H-pyridin-2-one
CID 11277082
2,3,3-Trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol
CID 134891619
5-(3-Fluorophenyl)-4-hydroxy-1,1-dioxo-1,2-thiazol-3-one
CID 172410454
2-benzyl-4-hydroxy-5-phenyl-3(2H)-isothiazolone 1,1-dioxide
CID 1201965
5-(3,5-Diethylphenyl)-4-hydroxy-1,1-dioxo-1,2-thiazol-3-one
CID 20472412
4-Hydroxy-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one
CID 20472417
(2-Hydroxy-1-methyl-6-oxo-4-phenyl-3-pyridinyl)methanesulfonic acid
CID 20562301
2-Hydroxy-1-methyl-6-oxo-4-phenylpyridine-3-sulfonic acid
CID 23334440

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 13186358) is 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is CN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is KQMNZOZTUPLSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-11-10(13)8(12)9(16(11,14)15)7-5-3-2-4-6-7/h2-6,12H,1H3.
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 239.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 13186358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).