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

C13H9ClN2O2S — CID 117097244

IUPAC3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCc1c(C(=O)O)nc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C13H9ClN2O2S/c1-7-11(12(17)18)15-13-16(7)10(6-19-13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,17,18)
InChIKeyALXVRJRUBLUWDC-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.72
Rot. Bonds2

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

3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 117097244) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID117097244
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCc1c(C(=O)O)nc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C13H9ClN2O2S/c1-7-11(12(17)18)15-13-16(7)10(6-19-13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,17,18)
InChIKeyALXVRJRUBLUWDC-UHFFFAOYSA-N
XLogP3.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 165492506
3-(4-chlorophenyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 46193160
3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068413
1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
CID 21178978
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
CID 69141126
3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035351
2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 10661360
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728483
7-hydroxy-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135542318
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
6-methyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068565

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 117097244) is 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is Cc1c(C(=O)O)nc2scc(-c3ccc(Cl)cc3)n12.
What is the InChIKey of 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is ALXVRJRUBLUWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-7-11(12(17)18)15-13-16(7)10(6-19-13)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 292.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 117097244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).