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

C13H8F2N2O2S — CID 3316115

IUPAC2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cc(-c3cc(F)ccc3F)nc2s1
InChIInChI=1S/C13H8F2N2O2S/c14-7-1-2-10(15)9(3-7)11-6-17-5-8(4-12(18)19)20-13(17)16-11/h1-3,5-6H,4H2,(H,18,19)
InChIKeyYGEOIVMPZLYEQR-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.97
Rot. Bonds3

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

2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (PubChem CID 3316115) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
PubChem CID3316115
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1cn2cc(-c3cc(F)ccc3F)nc2s1
InChIInChI=1S/C13H8F2N2O2S/c14-7-1-2-10(15)9(3-7)11-6-17-5-8(4-12(18)19)20-13(17)16-11/h1-3,5-6H,4H2,(H,18,19)
InChIKeyYGEOIVMPZLYEQR-UHFFFAOYSA-N
XLogP2.97
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4022162
2-[6-(2-benzylsulfanyl-5-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3874646
2-[6-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 4017525
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 115281719
2-[6-(4-chloro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3296332
2-[6-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 5105856
6-(2,5-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225141
2-[6-(2-ethoxy-5-methyl-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3564336
[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82357063
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
CID 176548294
6-chloro-2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine
CID 4879407

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid (CID 3316115) is 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is O=C(O)Cc1cn2cc(-c3cc(F)ccc3F)nc2s1.
What is the InChIKey of 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
The InChIKey is YGEOIVMPZLYEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-7-1-2-10(15)9(3-7)11-6-17-5-8(4-12(18)19)20-13(17)16-11/h1-3,5-6H,4H2,(H,18,19).
What are the key properties of 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid?
2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid has a molecular weight of 294.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid is sourced from PubChem (CID 3316115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).