potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide

C4H4BF3KNOS — CID 63703626

IUPACpotassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide
SMILESO=c1sccn1C[B-](F)(F)F.[K+]
InChIInChI=1S/C4H4BF3NOS.K/c6-5(7,8)3-9-1-2-11-4(9)10;/h1-2H,3H2;/q-1;+1
InChIKeyZXUVSUGLHDUARX-UHFFFAOYSA-N
MW221.05 g/mol
LogP-1.70
Rot. Bonds2

About potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide

potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide (PubChem CID 63703626) has the molecular formula C4H4BF3KNOS and a molecular weight of 221.05 g/mol. Its IUPAC name is potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide
PubChem CID63703626
Molecular FormulaC4H4BF3KNOS
Molecular Weight221.05 g/mol
Exact Mass220.97
IUPAC Namepotassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide
SMILESO=c1sccn1C[B-](F)(F)F.[K+]
InChIInChI=1S/C4H4BF3NOS.K/c6-5(7,8)3-9-1-2-11-4(9)10;/h1-2H,3H2;/q-1;+1
InChIKeyZXUVSUGLHDUARX-UHFFFAOYSA-N
XLogP-1.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide 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 trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide?
The IUPAC name of potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide (CID 63703626) is potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide?
The canonical SMILES for potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide is O=c1sccn1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide?
The InChIKey is ZXUVSUGLHDUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BF3NOS.K/c6-5(7,8)3-9-1-2-11-4(9)10;/h1-2H,3H2;/q-1;+1.
What are the key properties of potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide?
potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide has a molecular weight of 221.05 g/mol, XLogP of -1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(2-oxo-1,3-thiazol-3-yl)methyl]boranuide is sourced from PubChem (CID 63703626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).