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

C12H6F2N2O2S — CID 3668673

IUPAC3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESO=C(O)c1cn2c(-c3ccc(F)cc3F)csc2n1
InChIInChI=1S/C12H6F2N2O2S/c13-6-1-2-7(8(14)3-6)10-5-19-12-15-9(11(17)18)4-16(10)12/h1-5H,(H,17,18)
InChIKeyDUPXMVFBGFYEID-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.04
Rot. Bonds2

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

3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 3668673) has the molecular formula C12H6F2N2O2S and a molecular weight of 280.26 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID3668673
Molecular FormulaC12H6F2N2O2S
Molecular Weight280.26 g/mol
Exact Mass280.01
IUPAC Name3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESO=C(O)c1cn2c(-c3ccc(F)cc3F)csc2n1
InChIInChI=1S/C12H6F2N2O2S/c13-6-1-2-7(8(14)3-6)10-5-19-12-15-9(11(17)18)4-16(10)12/h1-5H,(H,17,18)
InChIKeyDUPXMVFBGFYEID-UHFFFAOYSA-N
XLogP3.04
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 3668673) is 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is O=C(O)c1cn2c(-c3ccc(F)cc3F)csc2n1.
What is the InChIKey of 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is DUPXMVFBGFYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O2S/c13-6-1-2-7(8(14)3-6)10-5-19-12-15-9(11(17)18)4-16(10)12/h1-5H,(H,17,18).
What are the key properties of 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 280.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 3668673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).