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

C12H6Cl2N2O2S — CID 115384598

IUPAC6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3cc(Cl)ccc3Cl)nc2s1
InChIInChI=1S/C12H6Cl2N2O2S/c13-6-1-2-8(14)7(3-6)9-4-16-5-10(11(17)18)19-12(16)15-9/h1-5H,(H,17,18)
InChIKeyPYAKQMMXYSMLSY-UHFFFAOYSA-N
MW313.17 g/mol
LogP4.07
Rot. Bonds2

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

6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 115384598) has the molecular formula C12H6Cl2N2O2S and a molecular weight of 313.17 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID115384598
Molecular FormulaC12H6Cl2N2O2S
Molecular Weight313.17 g/mol
Exact Mass311.95
IUPAC Name6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3cc(Cl)ccc3Cl)nc2s1
InChIInChI=1S/C12H6Cl2N2O2S/c13-6-1-2-8(14)7(3-6)9-4-16-5-10(11(17)18)19-12(16)15-9/h1-5H,(H,17,18)
InChIKeyPYAKQMMXYSMLSY-UHFFFAOYSA-N
XLogP4.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 114080787
6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 106758853
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridine
CID 71284518
2-(2,5-dichlorophenyl)-6-methylpyridine-4-carboxylic acid
CID 118841905
6-(1,3,5-trimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 115384554
6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090645
methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384502
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
6-(2,5-dichlorophenyl)-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 62365907
5-(2,5-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29274999
2-[6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetic acid
CID 3316115

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 115384598) is 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is O=C(O)c1cn2cc(-c3cc(Cl)ccc3Cl)nc2s1.
What is the InChIKey of 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is PYAKQMMXYSMLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2S/c13-6-1-2-8(14)7(3-6)9-4-16-5-10(11(17)18)19-12(16)15-9/h1-5H,(H,17,18).
What are the key properties of 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 313.17 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 115384598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).