potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate

C16H19F3KNO5S — CID 161202988

IUPACpotassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].CCN1C(=O)C(O)=C(c2ccc(C(F)(F)F)cc2)S1(=O)=O.[K+]
InChIInChI=1S/C12H10F3NO4S.C4H9O.K/c1-2-16-11(18)9(17)10(21(16,19)20)7-3-5-8(6-4-7)12(13,14)15;1-4(2,3)5;/h3-6,17H,2H2,1H3;1-3H3;/q;-1;+1
InChIKeyUVFPAGJHTUYNHK-UHFFFAOYSA-N
MW433.49 g/mol
LogP-0.73
Rot. Bonds2

About potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate

potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate (PubChem CID 161202988) has the molecular formula C16H19F3KNO5S and a molecular weight of 433.49 g/mol. Its IUPAC name is potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate
PubChem CID161202988
Molecular FormulaC16H19F3KNO5S
Molecular Weight433.49 g/mol
Exact Mass433.06
IUPAC Namepotassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].CCN1C(=O)C(O)=C(c2ccc(C(F)(F)F)cc2)S1(=O)=O.[K+]
InChIInChI=1S/C12H10F3NO4S.C4H9O.K/c1-2-16-11(18)9(17)10(21(16,19)20)7-3-5-8(6-4-7)12(13,14)15;1-4(2,3)5;/h3-6,17H,2H2,1H3;1-3H3;/q;-1;+1
InChIKeyUVFPAGJHTUYNHK-UHFFFAOYSA-N
XLogP-0.73
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 5-0.73
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-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
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-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
Potassium;2-tert-butyl-4-hydroxy-1,1-dioxo-5-phenyl-1,2-thiazol-3-one;2-methylpropan-2-olate
CID 162139241
CID 177729521
CID 177729521

Frequently Asked Questions

What is the IUPAC name of potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate?
The IUPAC name of potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate (CID 161202988) is potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate.
What is the SMILES notation for potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate?
The canonical SMILES for potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate is CC(C)(C)[O-].CCN1C(=O)C(O)=C(c2ccc(C(F)(F)F)cc2)S1(=O)=O.[K+].
What is the InChIKey of potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate?
The InChIKey is UVFPAGJHTUYNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO4S.C4H9O.K/c1-2-16-11(18)9(17)10(21(16,19)20)7-3-5-8(6-4-7)12(13,14)15;1-4(2,3)5;/h3-6,17H,2H2,1H3;1-3H3;/q;-1;+1.
What are the key properties of potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate?
potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate has a molecular weight of 433.49 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-ethyl-4-hydroxy-1,1-dioxo-5-[4-(trifluoromethyl)phenyl]-1,2-thiazol-3-one;2-methylpropan-2-olate is sourced from PubChem (CID 161202988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).