6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C12H7FN2O2S — CID 155378328

IUPAC6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)nc2sccn12
InChIInChI=1S/C12H7FN2O2S/c13-8-4-2-1-3-7(8)9-10(11(16)17)15-5-6-18-12(15)14-9/h1-6H,(H,16,17)
InChIKeyFWTPPLFDBYSYCY-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.90
Rot. Bonds2

About 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 155378328) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID155378328
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2F)nc2sccn12
InChIInChI=1S/C12H7FN2O2S/c13-8-4-2-1-3-7(8)9-10(11(16)17)15-5-6-18-12(15)14-9/h1-6H,(H,16,17)
InChIKeyFWTPPLFDBYSYCY-UHFFFAOYSA-N
XLogP2.90
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 155378328) is 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1c(-c2ccccc2F)nc2sccn12.
What is the InChIKey of 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is FWTPPLFDBYSYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-8-4-2-1-3-7(8)9-10(11(16)17)15-5-6-18-12(15)14-9/h1-6H,(H,16,17).
What are the key properties of 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 155378328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).