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

C12H12ClFN4S — CID 82020654

IUPAC1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1nn2cc(-c3ccc(F)cc3)nc2s1.Cl
InChIInChI=1S/C12H11FN4S.ClH/c1-7(14)11-16-17-6-10(15-12(17)18-11)8-2-4-9(13)5-3-8;/h2-7H,14H2,1H3;1H
InChIKeyQMZUEQABMHGRQO-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.04
Rot. Bonds2

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

1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 82020654) has the molecular formula C12H12ClFN4S and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
PubChem CID82020654
Molecular FormulaC12H12ClFN4S
Molecular Weight298.77 g/mol
Exact Mass298.05
IUPAC Name1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1nn2cc(-c3ccc(F)cc3)nc2s1.Cl
InChIInChI=1S/C12H11FN4S.ClH/c1-7(14)11-16-17-6-10(15-12(17)18-11)8-2-4-9(13)5-3-8;/h2-7H,14H2,1H3;1H
InChIKeyQMZUEQABMHGRQO-UHFFFAOYSA-N
XLogP3.04
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020618
1-[6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 82020609
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
CID 82020630
[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]hydrazine
CID 60919771
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020644
2-amino-1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119860737
2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209906
2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209493
6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 10287373
3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide
CID 133454034
6-(4-nitrophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209503
2-bromo-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2,2-dimethylpropane
CID 145380200

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride (CID 82020654) is 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride is CC(N)c1nn2cc(-c3ccc(F)cc3)nc2s1.Cl.
What is the InChIKey of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is QMZUEQABMHGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4S.ClH/c1-7(14)11-16-17-6-10(15-12(17)18-11)8-2-4-9(13)5-3-8;/h2-7H,14H2,1H3;1H.
What are the key properties of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
1-[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 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 82020654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).