6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C20H15ClN2OS — CID 39198498

IUPAC6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1ccc(-c2csc3nc(-c4ccc(Cl)cc4)c(C=O)n23)c(C)c1
InChIInChI=1S/C20H15ClN2OS/c1-12-3-8-16(13(2)9-12)18-11-25-20-22-19(17(10-24)23(18)20)14-4-6-15(21)7-5-14/h3-11H,1-2H3
InChIKeyNNHSTXGUPVJQPP-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.81
Rot. Bonds3

About 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198498) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198498
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1ccc(-c2csc3nc(-c4ccc(Cl)cc4)c(C=O)n23)c(C)c1
InChIInChI=1S/C20H15ClN2OS/c1-12-3-8-16(13(2)9-12)18-11-25-20-22-19(17(10-24)23(18)20)14-4-6-15(21)7-5-14/h3-11H,1-2H3
InChIKeyNNHSTXGUPVJQPP-UHFFFAOYSA-N
XLogP5.81
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198429
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
3-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198748
3-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198378
6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82036161
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971
3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39080225
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 141198279
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198498) is 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1ccc(-c2csc3nc(-c4ccc(Cl)cc4)c(C=O)n23)c(C)c1.
What is the InChIKey of 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is NNHSTXGUPVJQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c1-12-3-8-16(13(2)9-12)18-11-25-20-22-19(17(10-24)23(18)20)14-4-6-15(21)7-5-14/h3-11H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 366.87 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).