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

C11H11NO4S — CID 67242273

IUPAC2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C11H11NO4S/c1-2-12-11(14)9(13)10(17(12,15)16)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChIKeyQUBASHSYRVVHKE-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.11
Rot. Bonds2

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

2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 67242273) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID67242273
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C11H11NO4S/c1-2-12-11(14)9(13)10(17(12,15)16)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChIKeyQUBASHSYRVVHKE-UHFFFAOYSA-N
XLogP1.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-5-(4-methylphenyl)-1,1-dioxido-3-oxoisothiazol-2(3H)-yl]acetic acid
CID 3242875
3(2H)-Isothiazolone, 4-hydroxy-5-phenyl-, 1,1-dioxide
CID 685539
4-Hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 13186358
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
2-Ethyl-4-hydroxy-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one
CID 69503870
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-benzyl-4-hydroxy-5-phenyl-3(2H)-isothiazolone 1,1-dioxide
CID 1201965
4-Ethoxy-2-ethyl-5-phenyl-1,2-thiazol-3-one
CID 19806759
4-Hydroxy-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one
CID 20472417
3-Hydroxy-4-phenyl-1-sulfonylpyridin-1-ium-2-one
CID 67155980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 67242273) is 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is CCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is QUBASHSYRVVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-2-12-11(14)9(13)10(17(12,15)16)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3.
What are the key properties of 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 253.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 67242273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).