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

C10H14F3KN4O2S — CID 173461413

IUPACpotassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
SMILESCCCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1=O.[H-].[K+]
InChIInChI=1S/C10H13F3N4O2S.K.H/c1-2-3-4-16-5-6-17(19,9(16)18)8-15-14-7(20-8)10(11,12)13;;/h2-6H2,1H3;;/q;+1;-1
InChIKeyYHSQYQXHVCIBRG-UHFFFAOYSA-N
MW350.41 g/mol
LogP-0.29
Rot. Bonds4

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

potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride (PubChem CID 173461413) has the molecular formula C10H14F3KN4O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride.

Molecular Properties

Compound Namepotassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
PubChem CID173461413
Molecular FormulaC10H14F3KN4O2S
Molecular Weight350.41 g/mol
Exact Mass350.04
IUPAC Namepotassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride
SMILESCCCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1=O.[H-].[K+]
InChIInChI=1S/C10H13F3N4O2S.K.H/c1-2-3-4-16-5-6-17(19,9(16)18)8-15-14-7(20-8)10(11,12)13;;/h2-6H2,1H3;;/q;+1;-1
InChIKeyYHSQYQXHVCIBRG-UHFFFAOYSA-N
XLogP-0.29
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 5-0.29
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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Frequently Asked Questions

What is the IUPAC name of potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride?
The IUPAC name of potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride (CID 173461413) is potassium;3-butyl-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-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride?
The canonical SMILES for potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride is CCCCN1CC[N+]([O-])(c2nnc(C(F)(F)F)s2)C1=O.[H-].[K+].
What is the InChIKey of potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride?
The InChIKey is YHSQYQXHVCIBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S.K.H/c1-2-3-4-16-5-6-17(19,9(16)18)8-15-14-7(20-8)10(11,12)13;;/h2-6H2,1H3;;/q;+1;-1.
What are the key properties of potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride?
potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride has a molecular weight of 350.41 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-butyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-one;hydride is sourced from PubChem (CID 173461413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).