potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide

C7H11BF3KN2S — CID 63841451

IUPACpotassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide
SMILESCc1ncsc1CN(C)C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H11BF3N2S.K/c1-6-7(14-5-12-6)3-13(2)4-8(9,10)11;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyDMCPIOURXAIJLK-UHFFFAOYSA-N
MW262.15 g/mol
LogP-0.73
Rot. Bonds4

About potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide

potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide (PubChem CID 63841451) has the molecular formula C7H11BF3KN2S and a molecular weight of 262.15 g/mol. Its IUPAC name is potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide
PubChem CID63841451
Molecular FormulaC7H11BF3KN2S
Molecular Weight262.15 g/mol
Exact Mass262.03
IUPAC Namepotassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide
SMILESCc1ncsc1CN(C)C[B-](F)(F)F.[K+]
InChIInChI=1S/C7H11BF3N2S.K/c1-6-7(14-5-12-6)3-13(2)4-8(9,10)11;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyDMCPIOURXAIJLK-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

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-en-1-amine
CID 77051357
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63823450
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-ene-1,4-diamine
CID 77110220
1-(4-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55262163
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
CID 64992231
2-ethyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]butanal
CID 63836658
2-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethoxy]ethanol
CID 63837503
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
CID 55259281
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
[4-fluoro-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methanamine
CID 64768539

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide (CID 63841451) is potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide is Cc1ncsc1CN(C)C[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide?
The InChIKey is DMCPIOURXAIJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BF3N2S.K/c1-6-7(14-5-12-6)3-13(2)4-8(9,10)11;/h5H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide?
potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide is sourced from PubChem (CID 63841451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).