6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C13H9FN2O2S — CID 22693653

IUPAC6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C13H9FN2O2S/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,17,18)
InChIKeySMQPIXKMFXXTGG-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.21
Rot. Bonds2

About 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 22693653) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID22693653
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C13H9FN2O2S/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,17,18)
InChIKeySMQPIXKMFXXTGG-UHFFFAOYSA-N
XLogP3.21
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 22693653) is 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1c(C(=O)O)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is SMQPIXKMFXXTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c1-7-11(12(17)18)19-13-15-10(6-16(7)13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 22693653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).