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

C22H20N2O2S — CID 39198689

IUPAC3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1cccc(-c2nc3sc(C)c(-c4ccc(C)c(C)c4)n3c2C=O)c1
InChIInChI=1S/C22H20N2O2S/c1-13-8-9-17(10-14(13)2)21-15(3)27-22-23-20(19(12-25)24(21)22)16-6-5-7-18(11-16)26-4/h5-12H,1-4H3
InChIKeyDYBISOBLECAKFK-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.48
Rot. Bonds4

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

3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198689) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198689
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1cccc(-c2nc3sc(C)c(-c4ccc(C)c(C)c4)n3c2C=O)c1
InChIInChI=1S/C22H20N2O2S/c1-13-8-9-17(10-14(13)2)21-15(3)27-22-23-20(19(12-25)24(21)22)16-6-5-7-18(11-16)26-4/h5-12H,1-4H3
InChIKeyDYBISOBLECAKFK-UHFFFAOYSA-N
XLogP5.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198328
2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198272
(E)-3-[3-ethyl-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196050
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82342872
3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199014
2,3-dimethyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878467
6-(3-methoxyphenyl)-3-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198698
3-ethyl-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068817
3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199074
3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198429
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198689) is 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1cccc(-c2nc3sc(C)c(-c4ccc(C)c(C)c4)n3c2C=O)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is DYBISOBLECAKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-13-8-9-17(10-14(13)2)21-15(3)27-22-23-20(19(12-25)24(21)22)16-6-5-7-18(11-16)26-4/h5-12H,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 376.48 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).