6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C13H8F2N2O2S — CID 90337831

IUPAC6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1cn2c(C(=O)O)c(-c3ccc(F)cc3F)nc2s1
InChIInChI=1S/C13H8F2N2O2S/c1-6-5-17-11(12(18)19)10(16-13(17)20-6)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,18,19)
InChIKeySLIHRPDDIOFJER-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.35
Rot. Bonds2

About 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 90337831) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID90337831
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1cn2c(C(=O)O)c(-c3ccc(F)cc3F)nc2s1
InChIInChI=1S/C13H8F2N2O2S/c1-6-5-17-11(12(18)19)10(16-13(17)20-6)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,18,19)
InChIKeySLIHRPDDIOFJER-UHFFFAOYSA-N
XLogP3.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 90337831) is 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is Cc1cn2c(C(=O)O)c(-c3ccc(F)cc3F)nc2s1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is SLIHRPDDIOFJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c1-6-5-17-11(12(18)19)10(16-13(17)20-6)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,18,19).
What are the key properties of 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 294.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 90337831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).