potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate

C17H24KNO5S — CID 162139241

IUPACpotassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate
SMILESCC(C)(C)N1C(=O)C(O)=C(c2ccccc2)S1(=O)=O.CC(C)(C)[O-].[K+]
InChIInChI=1S/C13H15NO4S.C4H9O.K/c1-13(2,3)14-12(16)10(15)11(19(14,17)18)9-7-5-4-6-8-9;1-4(2,3)5;/h4-8,15H,1-3H3;1-3H3;/q;-1;+1
InChIKeyZJSAKEVXHWFHCE-UHFFFAOYSA-N
MW393.55 g/mol
LogP-0.97
Rot. Bonds1

About potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate

potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate (PubChem CID 162139241) has the molecular formula C17H24KNO5S and a molecular weight of 393.55 g/mol. Its IUPAC name is potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate
PubChem CID162139241
Molecular FormulaC17H24KNO5S
Molecular Weight393.55 g/mol
Exact Mass393.10
IUPAC Namepotassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate
SMILESCC(C)(C)N1C(=O)C(O)=C(c2ccccc2)S1(=O)=O.CC(C)(C)[O-].[K+]
InChIInChI=1S/C13H15NO4S.C4H9O.K/c1-13(2,3)14-12(16)10(15)11(19(14,17)18)9-7-5-4-6-8-9;1-4(2,3)5;/h4-8,15H,1-3H3;1-3H3;/q;-1;+1
InChIKeyZJSAKEVXHWFHCE-UHFFFAOYSA-N
XLogP-0.97
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate with MolForge

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Related Compounds

2-Tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 143032987
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
Potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate
CID 161202988
4-Hydroxy-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-one
CID 20472417
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-Hydroxy-2-(2-methoxyethyl)-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 67243377
Potassium;4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one;2-methylpropan-2-olate
CID 69503632
2-Tert-butyl-4-hydroxy-5-phenyl-1,2-thiazol-3-one
CID 91497785

Frequently Asked Questions

What is the IUPAC name of potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate?
The IUPAC name of potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate (CID 162139241) is potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate.
What is the SMILES notation for potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate?
The canonical SMILES for potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate is CC(C)(C)N1C(=O)C(O)=C(c2ccccc2)S1(=O)=O.CC(C)(C)[O-].[K+].
What is the InChIKey of potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate?
The InChIKey is ZJSAKEVXHWFHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S.C4H9O.K/c1-13(2,3)14-12(16)10(15)11(19(14,17)18)9-7-5-4-6-8-9;1-4(2,3)5;/h4-8,15H,1-3H3;1-3H3;/q;-1;+1.
What are the key properties of potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate?
potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate has a molecular weight of 393.55 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate is sourced from PubChem (CID 162139241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).