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

C22H20N2OS — CID 39198367

IUPAC2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2nc(-c3ccc(C)cc3)c(C=O)n2c1-c1ccc(C)cc1
InChIInChI=1S/C22H20N2OS/c1-4-19-21(17-11-7-15(3)8-12-17)24-18(13-25)20(23-22(24)26-19)16-9-5-14(2)6-10-16/h5-13H,4H2,1-3H3
InChIKeyKRFWTAFSVCJOOW-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.72
Rot. Bonds4

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

2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198367) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198367
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1sc2nc(-c3ccc(C)cc3)c(C=O)n2c1-c1ccc(C)cc1
InChIInChI=1S/C22H20N2OS/c1-4-19-21(17-11-7-15(3)8-12-17)24-18(13-25)20(23-22(24)26-19)16-9-5-14(2)6-10-16/h5-13H,4H2,1-3H3
InChIKeyKRFWTAFSVCJOOW-UHFFFAOYSA-N
XLogP5.72
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-3,6-bis(4-methylphenyl)imidazo[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-(4-tert-butylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198964
3-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198378
6-(1,3-benzodioxol-5-yl)-2-ethyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198909
6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198440
2-ethyl-6-methyl-3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198979
2-ethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199033
3-(2,4-dimethylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198955
2,6-diethyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200534
2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82036098
2-ethyl-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 10805524
2-ethyl-3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199004
2-ethyl-3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035323

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198367) is 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCc1sc2nc(-c3ccc(C)cc3)c(C=O)n2c1-c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is KRFWTAFSVCJOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-4-19-21(17-11-7-15(3)8-12-17)24-18(13-25)20(23-22(24)26-19)16-9-5-14(2)6-10-16/h5-13H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 360.48 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).