potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide

C8H12F3KN4O2S — CID 88840628

IUPACpotassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide
SMILESCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1.[K+].[OH-]
InChIInChI=1S/C8H11F3N4OS.K.H2O/c1-2-14-3-4-15(16,5-14)7-13-12-6(17-7)8(9,10)11;;/h2-5H2,1H3;;1H2/q;+1;/p-1
InChIKeyGLYBUADUEDTRFC-UHFFFAOYSA-M
MW324.37 g/mol
LogP-1.52
Rot. Bonds2

About potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide

potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide (PubChem CID 88840628) has the molecular formula C8H12F3KN4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide.

Molecular Properties

Compound Namepotassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide
PubChem CID88840628
Molecular FormulaC8H12F3KN4O2S
Molecular Weight324.37 g/mol
Exact Mass324.03
IUPAC Namepotassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide
SMILESCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1.[K+].[OH-]
InChIInChI=1S/C8H11F3N4OS.K.H2O/c1-2-14-3-4-15(16,5-14)7-13-12-6(17-7)8(9,10)11;;/h2-5H2,1H3;;1H2/q;+1;/p-1
InChIKeyGLYBUADUEDTRFC-UHFFFAOYSA-M
XLogP-1.52
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide?
The IUPAC name of potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide (CID 88840628) is potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide.
What is the SMILES notation for potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide?
The canonical SMILES for potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide is CCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1.[K+].[OH-].
What is the InChIKey of potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide?
The InChIKey is GLYBUADUEDTRFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11F3N4OS.K.H2O/c1-2-14-3-4-15(16,5-14)7-13-12-6(17-7)8(9,10)11;;/h2-5H2,1H3;;1H2/q;+1;/p-1.
What are the key properties of potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide?
potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide has a molecular weight of 324.37 g/mol, XLogP of -1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(3-ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide is sourced from PubChem (CID 88840628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).