potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide

C4H4BF3KNS — CID 79818711

IUPACpotassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide
SMILESF[B-](F)(F)Cc1nccs1.[K+]
InChIInChI=1S/C4H4BF3NS.K/c6-5(7,8)3-4-9-1-2-10-4;/h1-2H,3H2;/q-1;+1
InChIKeyKGBCQIRUTVMKHW-UHFFFAOYSA-N
MW205.05 g/mol
LogP-0.92
Rot. Bonds2

About potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide

potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide (PubChem CID 79818711) has the molecular formula C4H4BF3KNS and a molecular weight of 205.05 g/mol. Its IUPAC name is potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide
PubChem CID79818711
Molecular FormulaC4H4BF3KNS
Molecular Weight205.05 g/mol
Exact Mass204.97
IUPAC Namepotassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide
SMILESF[B-](F)(F)Cc1nccs1.[K+]
InChIInChI=1S/C4H4BF3NS.K/c6-5(7,8)3-4-9-1-2-10-4;/h1-2H,3H2;/q-1;+1
InChIKeyKGBCQIRUTVMKHW-UHFFFAOYSA-N
XLogP-0.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1,3-thiazole;hydrochloride
CID 23043559
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
2-(1,3-thiazol-2-yl)acetonitrile
CID 4913352
ethane;2-ethyl-1,3-thiazole;iodomethane
CID 168945349
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
N-iodo-2-(1,3-thiazol-2-yl)ethanamine
CID 137452216
dioxido-oxo-(1,3-thiazol-2-ylmethyl)-lambda5-phosphane
CID 19370574
2-but-3-ynyl-1,3-thiazole
CID 87801574
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide?
The IUPAC name of potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide (CID 79818711) is potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide.
What is the SMILES notation for potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide?
The canonical SMILES for potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide is F[B-](F)(F)Cc1nccs1.[K+].
What is the InChIKey of potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide?
The InChIKey is KGBCQIRUTVMKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BF3NS.K/c6-5(7,8)3-4-9-1-2-10-4;/h1-2H,3H2;/q-1;+1.
What are the key properties of potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide?
potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide has a molecular weight of 205.05 g/mol, XLogP of -0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(1,3-thiazol-2-ylmethyl)boranuide is sourced from PubChem (CID 79818711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).