2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid

C13H9FN2O2S — CID 82060205

IUPAC2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C13H9FN2O2S/c14-9-3-1-8(2-4-9)12-10(7-11(17)18)16-5-6-19-13(16)15-12/h1-6H,7H2,(H,17,18)
InChIKeySEUBKDNEHQJKIP-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.83
Rot. Bonds3

About 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (PubChem CID 82060205) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
PubChem CID82060205
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C13H9FN2O2S/c14-9-3-1-8(2-4-9)12-10(7-11(17)18)16-5-6-19-13(16)15-12/h1-6H,7H2,(H,17,18)
InChIKeySEUBKDNEHQJKIP-UHFFFAOYSA-N
XLogP2.83
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
CID 89392602
CID 89392602
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
CID 46511311
2-[2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060601
2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060605
2-(2-chloro-6-fluorophenyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 27992833
trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
CID 4880467
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 51603172
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
CID 45156225

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid (CID 82060205) is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is O=C(O)Cc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
The InChIKey is SEUBKDNEHQJKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c14-9-3-1-8(2-4-9)12-10(7-11(17)18)16-5-6-19-13(16)15-12/h1-6H,7H2,(H,17,18).
What are the key properties of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid?
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid has a molecular weight of 276.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid is sourced from PubChem (CID 82060205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).