potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide

C7H11BF3KN2S — CID 63704903

IUPACpotassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
SMILESCc1nc(CN(C)C[B-](F)(F)F)cs1.[K+]
InChIInChI=1S/C7H11BF3N2S.K/c1-6-12-7(4-14-6)3-13(2)5-8(9,10)11;/h4H,3,5H2,1-2H3;/q-1;+1
InChIKeyWRWGLPSQGLQIFC-UHFFFAOYSA-N
MW262.15 g/mol
LogP-0.73
Rot. Bonds4

About potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide

potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide (PubChem CID 63704903) has the molecular formula C7H11BF3KN2S and a molecular weight of 262.15 g/mol. Its IUPAC name is potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
PubChem CID63704903
Molecular FormulaC7H11BF3KN2S
Molecular Weight262.15 g/mol
Exact Mass262.03
IUPAC Namepotassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
SMILESCc1nc(CN(C)C[B-](F)(F)F)cs1.[K+]
InChIInChI=1S/C7H11BF3N2S.K/c1-6-12-7(4-14-6)3-13(2)5-8(9,10)11;/h4H,3,5H2,1-2H3;/q-1;+1
InChIKeyWRWGLPSQGLQIFC-UHFFFAOYSA-N
XLogP-0.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]but-2-ene-1,4-diamine
CID 77110787
potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide
CID 63841451
N'-hydroxy-2-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930167
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 103070174
N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 62255905
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
1-N,4,4-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,3-diamine
CID 62622999
N',N'-dimethyl-N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]propane-1,3-diamine
CID 55088905
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine
CID 75470714

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide (CID 63704903) is potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide is Cc1nc(CN(C)C[B-](F)(F)F)cs1.[K+].
What is the InChIKey of potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide?
The InChIKey is WRWGLPSQGLQIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BF3N2S.K/c1-6-12-7(4-14-6)3-13(2)5-8(9,10)11;/h4H,3,5H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide?
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide has a molecular weight of 262.15 g/mol, XLogP of -0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide is sourced from PubChem (CID 63704903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).