3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C12H7FN2O2S — CID 82061917

IUPAC3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc2scc(-c3ccc(F)cc3)n12
InChIInChI=1S/C12H7FN2O2S/c13-8-3-1-7(2-4-8)10-6-18-12-14-5-9(11(16)17)15(10)12/h1-6H,(H,16,17)
InChIKeyQTNNWRGHGSMHMZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.90
Rot. Bonds2

About 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82061917) has the molecular formula C12H7FN2O2S and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82061917
Molecular FormulaC12H7FN2O2S
Molecular Weight262.27 g/mol
Exact Mass262.02
IUPAC Name3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc2scc(-c3ccc(F)cc3)n12
InChIInChI=1S/C12H7FN2O2S/c13-8-3-1-7(2-4-8)10-6-18-12-14-5-9(11(16)17)15(10)12/h1-6H,(H,16,17)
InChIKeyQTNNWRGHGSMHMZ-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 ≤ 500262.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 44754715
3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82062009
3-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82062120
[3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82061918
3-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82061970
3-(4-fluorophenyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248522
2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid
CID 82166820
(E)-3-[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196382
3-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-5-amine
CID 82475478
3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199056
2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062239
6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854352

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82061917) is 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1cnc2scc(-c3ccc(F)cc3)n12.
What is the InChIKey of 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is QTNNWRGHGSMHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-8-3-1-7(2-4-8)10-6-18-12-14-5-9(11(16)17)15(10)12/h1-6H,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 262.27 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 3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82061917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).