3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C13H5Cl2F3N2O2S — CID 82035537

IUPAC3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2scc(-c3ccc(Cl)c(Cl)c3)n12
InChIInChI=1S/C13H5Cl2F3N2O2S/c14-6-2-1-5(3-7(6)15)8-4-23-12-19-10(13(16,17)18)9(11(21)22)20(8)12/h1-4H,(H,21,22)
InChIKeyWIRWYYSZGQGZIP-UHFFFAOYSA-N
MW381.16 g/mol
LogP5.09
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035537) has the molecular formula C13H5Cl2F3N2O2S and a molecular weight of 381.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035537
Molecular FormulaC13H5Cl2F3N2O2S
Molecular Weight381.16 g/mol
Exact Mass379.94
IUPAC Name3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2scc(-c3ccc(Cl)c(Cl)c3)n12
InChIInChI=1S/C13H5Cl2F3N2O2S/c14-6-2-1-5(3-7(6)15)8-4-23-12-19-10(13(16,17)18)9(11(21)22)20(8)12/h1-4H,(H,21,22)
InChIKeyWIRWYYSZGQGZIP-UHFFFAOYSA-N
XLogP5.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.16
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035539
3-[4-(2-methylprop-2-enoxy)phenyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035884
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971
3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 164588860
3-(4-chlorophenyl)-2-ethyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035290
1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 1482612
3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035351
3-(4-tert-butylphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035482
[3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196818
3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 117097244
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
3-(3-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035378

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035537) is 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1c(C(F)(F)F)nc2scc(-c3ccc(Cl)c(Cl)c3)n12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is WIRWYYSZGQGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F3N2O2S/c14-6-2-1-5(3-7(6)15)8-4-23-12-19-10(13(16,17)18)9(11(21)22)20(8)12/h1-4H,(H,21,22).
What are the key properties of 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 381.16 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).