2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol

C12H15NO3S — CID 134891619

IUPAC2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol
SMILESCN1C(C)(C)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C12H15NO3S/c1-12(2)11(14)10(17(15,16)13(12)3)9-7-5-4-6-8-9/h4-8,14H,1-3H3
InChIKeyZASNDFFABZRNMV-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.97
Rot. Bonds1

About 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol

2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol (PubChem CID 134891619) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol.

Molecular Properties

Compound Name2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol
PubChem CID134891619
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol
SMILESCN1C(C)(C)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C12H15NO3S/c1-12(2)11(14)10(17(15,16)13(12)3)9-7-5-4-6-8-9/h4-8,14H,1-3H3
InChIKeyZASNDFFABZRNMV-UHFFFAOYSA-N
XLogP1.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-2-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 13186358
1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide
CID 113351320
N-(2-hydroxyethyl)-N-methyl-1-phenylmethanesulfonamide
CID 18184253
2-tert-Butyl-4-hydroxy-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67243180
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethanesulfonamide
CID 79387233
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-phenylmethanesulfonamide
CID 79387245
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-phenylethenesulfonamide
CID 79387591
N-(2-hydroxy-2-methylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79387593
N-(1-hydroxypropan-2-yl)-N-methyl-1-phenylmethanesulfonamide
CID 109874919
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide
CID 113351315
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-1-phenylmethanesulfonamide
CID 115899138
(E)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethenesulfonamide
CID 115902713

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol?
The IUPAC name of 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol (CID 134891619) is 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol.
What is the SMILES notation for 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol?
The canonical SMILES for 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol is CN1C(C)(C)C(O)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol?
The InChIKey is ZASNDFFABZRNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-12(2)11(14)10(17(15,16)13(12)3)9-7-5-4-6-8-9/h4-8,14H,1-3H3.
What are the key properties of 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol?
2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol has a molecular weight of 253.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1,1-dioxo-5-phenyl-1,2-thiazol-4-ol is sourced from PubChem (CID 134891619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).