potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride

C8H10F3KN4O2S — CID 173461200

IUPACpotassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
SMILESCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1=O.[H-].[K+]
InChIInChI=1S/C8H9F3N4O2S.K.H/c1-2-14-3-4-15(17,7(14)16)6-13-12-5(18-6)8(9,10)11;;/h2-4H2,1H3;;/q;+1;-1
InChIKeyOBHUCOJAXMLCFO-UHFFFAOYSA-N
MW322.35 g/mol
LogP-1.07
Rot. Bonds2

About potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride

potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride (PubChem CID 173461200) has the molecular formula C8H10F3KN4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride.

Molecular Properties

Compound Namepotassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
PubChem CID173461200
Molecular FormulaC8H10F3KN4O2S
Molecular Weight322.35 g/mol
Exact Mass322.01
IUPAC Namepotassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
SMILESCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1=O.[H-].[K+]
InChIInChI=1S/C8H9F3N4O2S.K.H/c1-2-14-3-4-15(17,7(14)16)6-13-12-5(18-6)8(9,10)11;;/h2-4H2,1H3;;/q;+1;-1
InChIKeyOBHUCOJAXMLCFO-UHFFFAOYSA-N
XLogP-1.07
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-methyl-3-oxido-N-propan-2-yl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405924
N,N-diethyl-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405954
2-(3-Methyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 21507112
4-(Diethylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68121171
4-Amino-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68122203
1-Methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68136739
1-Ethyl-4-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70638581
2-[5-(Aziridin-1-yl)-3-ethyl-1-oxidoimidazolidin-1-ium-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 88821348
Potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide
CID 88840628
Potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide
CID 88841596
Potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
CID 173461413
1-Ethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 71364570

Frequently Asked Questions

What is the IUPAC name of potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride?
The IUPAC name of potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride (CID 173461200) is potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride.
What is the SMILES notation for potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride?
The canonical SMILES for potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride is CCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1=O.[H-].[K+].
What is the InChIKey of potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride?
The InChIKey is OBHUCOJAXMLCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S.K.H/c1-2-14-3-4-15(17,7(14)16)6-13-12-5(18-6)8(9,10)11;;/h2-4H2,1H3;;/q;+1;-1.
What are the key properties of potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride?
potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride has a molecular weight of 322.35 g/mol, XLogP of -1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride is sourced from PubChem (CID 173461200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).