6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride

C25H15F7N4O3S2 — CID 167574890

IUPAC6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride
SMILESF.F.O=C(O)c1c(-c2ccccc2F)nc2sccn12.O=C(c1c(-c2ccccc2F)nc2sccn12)C(F)(F)F
InChIInChI=1S/C13H6F4N2OS.C12H7FN2O2S.2FH/c14-8-4-2-1-3-7(8)9-10(11(20)13(15,16)17)19-5-6-21-12(19)18-9;13-8-4-2-1-3-7(8)9-10(11(16)17)15-5-6-18-12(15)14-9;;/h1-6H;1-6H,(H,16,17);2*1H
InChIKeyGJXTWLBPAJGYEB-UHFFFAOYSA-N
MW616.54 g/mol
LogP7.15
Rot. Bonds4

About 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride

6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride (PubChem CID 167574890) has the molecular formula C25H15F7N4O3S2 and a molecular weight of 616.54 g/mol. Its IUPAC name is 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride.

Molecular Properties

Compound Name6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride
PubChem CID167574890
Molecular FormulaC25H15F7N4O3S2
Molecular Weight616.54 g/mol
Exact Mass616.05
IUPAC Name6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride
SMILESF.F.O=C(O)c1c(-c2ccccc2F)nc2sccn12.O=C(c1c(-c2ccccc2F)nc2sccn12)C(F)(F)F
InChIInChI=1S/C13H6F4N2OS.C12H7FN2O2S.2FH/c14-8-4-2-1-3-7(8)9-10(11(20)13(15,16)17)19-5-6-21-12(19)18-9;13-8-4-2-1-3-7(8)9-10(11(16)17)15-5-6-18-12(15)14-9;;/h1-6H;1-6H,(H,16,17);2*1H
InChIKeyGJXTWLBPAJGYEB-UHFFFAOYSA-N
XLogP7.15
TPSA88.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.54
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride with MolForge

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Related Compounds

6-Phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 329978
6-(2-Fluoro-4-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 71262912
2-Bromo-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 89588855
6-(4-Fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 90337830
6-(2,4-Difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 90337831
6-(2-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 155378328
Chloromethane;2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methanamine
CID 159789186
deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 167548372
CID 167591352
CID 167591352
[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone;6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 171930914
6-(4-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 20110173
Methyl 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 20110316

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride?
The IUPAC name of 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride (CID 167574890) is 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride.
What is the SMILES notation for 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride?
The canonical SMILES for 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride is F.F.O=C(O)c1c(-c2ccccc2F)nc2sccn12.O=C(c1c(-c2ccccc2F)nc2sccn12)C(F)(F)F.
What is the InChIKey of 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride?
The InChIKey is GJXTWLBPAJGYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2OS.C12H7FN2O2S.2FH/c14-8-4-2-1-3-7(8)9-10(11(20)13(15,16)17)19-5-6-21-12(19)18-9;13-8-4-2-1-3-7(8)9-10(11(16)17)15-5-6-18-12(15)14-9;;/h1-6H;1-6H,(H,16,17);2*1H.
What are the key properties of 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride?
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride has a molecular weight of 616.54 g/mol, XLogP of 7.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid;2,2,2-trifluoro-1-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanone;dihydrofluoride is sourced from PubChem (CID 167574890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).