2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

C13H8FN2O2S- — CID 7479671

IUPAC2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESO=C([O-])Cc1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C13H9FN2O2S/c14-9-3-1-8(2-4-9)11-6-16-10(5-12(17)18)7-19-13(16)15-11/h1-4,6-7H,5H2,(H,17,18)/p-1
InChIKeyKRIIMUBXSVTNPP-UHFFFAOYSA-M
MW275.28 g/mol
LogP1.49
Rot. Bonds3

About 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (PubChem CID 7479671) has the molecular formula C13H8FN2O2S- and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
PubChem CID7479671
Molecular FormulaC13H8FN2O2S-
Molecular Weight275.28 g/mol
Exact Mass275.03
IUPAC Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
SMILESO=C([O-])Cc1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C13H9FN2O2S/c14-9-3-1-8(2-4-9)11-6-16-10(5-12(17)18)7-19-13(16)15-11/h1-4,6-7H,5H2,(H,17,18)/p-1
InChIKeyKRIIMUBXSVTNPP-UHFFFAOYSA-M
XLogP1.49
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509363
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554959
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 40509494
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7522319
N-(4-ethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575550
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24555522
N-(3-acetamidophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554799
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 22575945
N-(3-fluoro-4-methylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554891
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575552

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate (CID 7479671) is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate.
What is the SMILES notation for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The canonical SMILES for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate is O=C([O-])Cc1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
The InChIKey is KRIIMUBXSVTNPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9FN2O2S/c14-9-3-1-8(2-4-9)11-6-16-10(5-12(17)18)7-19-13(16)15-11/h1-4,6-7H,5H2,(H,17,18)/p-1.
What are the key properties of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate?
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate has a molecular weight of 275.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 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]thiazol-3-yl]acetate is sourced from PubChem (CID 7479671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).