trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide

C6H5BF3N2S- — CID 115334554

IUPACtrifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
SMILESF[B-](F)(F)Cc1cn2ccsc2n1
InChIInChI=1S/C6H5BF3N2S/c8-7(9,10)3-5-4-12-1-2-13-6(12)11-5/h1-2,4H,3H2/q-1
InChIKeyXCXKLHOTAYIJCL-UHFFFAOYSA-N
MW204.99 g/mol
LogP2.32
Rot. Bonds2

About trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide

trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide (PubChem CID 115334554) has the molecular formula C6H5BF3N2S- and a molecular weight of 204.99 g/mol. Its IUPAC name is trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
PubChem CID115334554
Molecular FormulaC6H5BF3N2S-
Molecular Weight204.99 g/mol
Exact Mass205.02
IUPAC Nametrifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
SMILESF[B-](F)(F)Cc1cn2ccsc2n1
InChIInChI=1S/C6H5BF3N2S/c8-7(9,10)3-5-4-12-1-2-13-6(12)11-5/h1-2,4H,3H2/q-1
InChIKeyXCXKLHOTAYIJCL-UHFFFAOYSA-N
XLogP2.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.99
LogP ≤ 52.32
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

6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 115332443
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 52558692

Frequently Asked Questions

What is the IUPAC name of trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide?
The IUPAC name of trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide (CID 115334554) is trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide.
What is the SMILES notation for trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide?
The canonical SMILES for trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide is F[B-](F)(F)Cc1cn2ccsc2n1.
What is the InChIKey of trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide?
The InChIKey is XCXKLHOTAYIJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BF3N2S/c8-7(9,10)3-5-4-12-1-2-13-6(12)11-5/h1-2,4H,3H2/q-1.
What are the key properties of trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide?
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide has a molecular weight of 204.99 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide is sourced from PubChem (CID 115334554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).