4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

C12H13NO5S — CID 67243377

IUPAC4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCOCCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C12H13NO5S/c1-18-8-7-13-12(15)10(14)11(19(13,16)17)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChIKeyBMULTNKZUKNJSF-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.73
Rot. Bonds4

About 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 67243377) has the molecular formula C12H13NO5S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID67243377
Molecular FormulaC12H13NO5S
Molecular Weight283.31 g/mol
Exact Mass283.05
IUPAC Name4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCOCCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C12H13NO5S/c1-18-8-7-13-12(15)10(14)11(19(13,16)17)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3
InChIKeyBMULTNKZUKNJSF-UHFFFAOYSA-N
XLogP0.73
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
Potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate
CID 161202988
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-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67242125
2-Ethyl-4-hydroxy-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67242273
2-tert-Butyl-4-hydroxy-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67243180
2-Butyl-4-hydroxy-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67243252
4-Chloro-2-(2-methoxyethyl)-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67243909
2-Butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one
CID 69403526

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 67243377) is 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is COCCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is BMULTNKZUKNJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S/c1-18-8-7-13-12(15)10(14)11(19(13,16)17)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3.
What are the key properties of 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 283.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methoxyethyl)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 67243377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).