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

C22H20N2OS — CID 39198429

IUPAC3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1ccc(-c2csc3nc(-c4ccc(C)c(C)c4)c(C=O)n23)c(C)c1
InChIInChI=1S/C22H20N2OS/c1-13-5-8-18(16(4)9-13)20-12-26-22-23-21(19(11-25)24(20)22)17-7-6-14(2)15(3)10-17/h5-12H,1-4H3
InChIKeyFKCHFYAHGNNGES-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.78
Rot. Bonds3

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

3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198429) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198429
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1ccc(-c2csc3nc(-c4ccc(C)c(C)c4)c(C=O)n23)c(C)c1
InChIInChI=1S/C22H20N2OS/c1-13-5-8-18(16(4)9-13)20-12-26-22-23-21(19(11-25)24(20)22)17-7-6-14(2)15(3)10-17/h5-12H,1-4H3
InChIKeyFKCHFYAHGNNGES-UHFFFAOYSA-N
XLogP5.78
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.78
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

6-(4-chlorophenyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198498
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82036161
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-(2,4-dichlorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198748
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198947
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198689

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198429) is 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1ccc(-c2csc3nc(-c4ccc(C)c(C)c4)c(C=O)n23)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is FKCHFYAHGNNGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-13-5-8-18(16(4)9-13)20-12-26-22-23-21(19(11-25)24(20)22)17-7-6-14(2)15(3)10-17/h5-12H,1-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 360.48 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).