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

C10H16F3KN4O2S — CID 88841596

IUPACpotassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide
SMILESCCCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1.[K+].[OH-]
InChIInChI=1S/C10H15F3N4OS.K.H2O/c1-2-3-4-16-5-6-17(18,7-16)9-15-14-8(19-9)10(11,12)13;;/h2-7H2,1H3;;1H2/q;+1;/p-1
InChIKeyWNRFTHXEXKWSOH-UHFFFAOYSA-M
MW352.42 g/mol
LogP-0.74
Rot. Bonds4

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

potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide (PubChem CID 88841596) has the molecular formula C10H16F3KN4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide.

Molecular Properties

Compound Namepotassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide
PubChem CID88841596
Molecular FormulaC10H16F3KN4O2S
Molecular Weight352.42 g/mol
Exact Mass352.06
IUPAC Namepotassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide
SMILESCCCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1.[K+].[OH-]
InChIInChI=1S/C10H15F3N4OS.K.H2O/c1-2-3-4-16-5-6-17(18,7-16)9-15-14-8(19-9)10(11,12)13;;/h2-7H2,1H3;;1H2/q;+1;/p-1
InChIKeyWNRFTHXEXKWSOH-UHFFFAOYSA-M
XLogP-0.74
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.74
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-butyl-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

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-hexyl-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405928
1-ethyl-3-oxido-N-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405931
N,N-diethyl-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405954
3-Oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol
CID 21440098
2-(3-Methyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 21507112
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;3-ethyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
CID 173461200
Potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
CID 173461413
2-(3-Ethyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 88840629
3-Butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one
CID 88841595

Frequently Asked Questions

What is the IUPAC name of potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide?
The IUPAC name of potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide (CID 88841596) is potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide.
What is the SMILES notation for potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide?
The canonical SMILES for potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide is CCCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1.[K+].[OH-].
What is the InChIKey of potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide?
The InChIKey is WNRFTHXEXKWSOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15F3N4OS.K.H2O/c1-2-3-4-16-5-6-17(18,7-16)9-15-14-8(19-9)10(11,12)13;;/h2-7H2,1H3;;1H2/q;+1;/p-1.
What are the key properties of potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide?
potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide has a molecular weight of 352.42 g/mol, XLogP of -0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole;hydroxide is sourced from PubChem (CID 88841596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).