2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride

C12H12ClFN4S — CID 82020644

IUPAC2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCl.NCCc1nn2cc(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C12H11FN4S.ClH/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)18-11(16-17)5-6-14;/h1-4,7H,5-6,14H2;1H
InChIKeyZBYJXTXEJXHYPI-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.52
Rot. Bonds3

About 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 82020644) has the molecular formula C12H12ClFN4S and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
PubChem CID82020644
Molecular FormulaC12H12ClFN4S
Molecular Weight298.77 g/mol
Exact Mass298.05
IUPAC Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCl.NCCc1nn2cc(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C12H11FN4S.ClH/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)18-11(16-17)5-6-14;/h1-4,7H,5-6,14H2;1H
InChIKeyZBYJXTXEJXHYPI-UHFFFAOYSA-N
XLogP2.52
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride (CID 82020644) is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride is Cl.NCCc1nn2cc(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is ZBYJXTXEJXHYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4S.ClH/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)18-11(16-17)5-6-14;/h1-4,7H,5-6,14H2;1H.
What are the key properties of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 82020644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).