6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C21H18N2OS — CID 39198440

IUPAC6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1ccc(-c2nc3sc(C)c(-c4ccccc4)n3c2C=O)cc1
InChIInChI=1S/C21H18N2OS/c1-3-15-9-11-16(12-10-15)19-18(13-24)23-20(14(2)25-21(23)22-19)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3
InChIKeyULQKVNTVGJGAQX-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.41
Rot. Bonds4

About 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198440) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198440
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCc1ccc(-c2nc3sc(C)c(-c4ccccc4)n3c2C=O)cc1
InChIInChI=1S/C21H18N2OS/c1-3-15-9-11-16(12-10-15)19-18(13-24)23-20(14(2)25-21(23)22-19)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3
InChIKeyULQKVNTVGJGAQX-UHFFFAOYSA-N
XLogP5.41
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.41
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

2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82036098
3-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198378
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198328
2-ethyl-3,6-bis(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198367
6-(1,3-benzodioxol-5-yl)-2-ethyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198909
6-(4-ethylphenyl)-2,3,5-trimethylimidazo[2,1-b][1,3]thiazole
CID 83086720
3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198689
2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200734
2-ethyl-3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 10805524
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200635
2,3-dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 50878469
5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 82036018

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198440) is 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCc1ccc(-c2nc3sc(C)c(-c4ccccc4)n3c2C=O)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ULQKVNTVGJGAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-3-15-9-11-16(12-10-15)19-18(13-24)23-20(14(2)25-21(23)22-19)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 346.46 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).