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

C13H8Cl2N2O2S — CID 82035351

IUPAC3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2scc(-c3ccc(Cl)cc3Cl)n2c1C(=O)O
InChIInChI=1S/C13H8Cl2N2O2S/c1-6-11(12(18)19)17-10(5-20-13(17)16-6)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,18,19)
InChIKeySYGWXXGLOLFCCS-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.38
Rot. Bonds2

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

3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035351) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035351
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCc1nc2scc(-c3ccc(Cl)cc3Cl)n2c1C(=O)O
InChIInChI=1S/C13H8Cl2N2O2S/c1-6-11(12(18)19)17-10(5-20-13(17)16-6)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,18,19)
InChIKeySYGWXXGLOLFCCS-UHFFFAOYSA-N
XLogP4.38
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068416
3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198748
3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035539
3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 117097244
(E)-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]but-2-enamide
CID 108752442
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108728630
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108728639
3-(3,4-dichlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035528
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-carboxamide
CID 108728681
N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728583
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
3-bromo-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728672

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035351) is 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is Cc1nc2scc(-c3ccc(Cl)cc3Cl)n2c1C(=O)O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is SYGWXXGLOLFCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c1-6-11(12(18)19)17-10(5-20-13(17)16-6)8-3-2-7(14)4-9(8)15/h2-5H,1H3,(H,18,19).
What are the key properties of 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 327.19 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).