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

C20H16N2O2S — CID 39198664

IUPAC6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccc(-c2nc3scc(-c4ccccc4)n3c2C=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-2-24-16-10-8-15(9-11-16)19-17(12-23)22-18(13-25-20(22)21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyRPCVRAORVAAIAA-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.94
Rot. Bonds5

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

6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198664) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198664
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccc(-c2nc3scc(-c4ccccc4)n3c2C=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-2-24-16-10-8-15(9-11-16)19-17(12-23)22-18(13-25-20(22)21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyRPCVRAORVAAIAA-UHFFFAOYSA-N
XLogP4.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900
6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198119
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
5-diethoxyphosphoryl-3,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 132516192
6-(4-ethoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198036
13-(4-ethoxyphenyl)-15-thia-8,12,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,13,16-heptaen-11-one
CID 23880567
3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39080225
6-(3-methoxyphenyl)-3-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198698
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198664) is 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCOc1ccc(-c2nc3scc(-c4ccccc4)n3c2C=O)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is RPCVRAORVAAIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-2-24-16-10-8-15(9-11-16)19-17(12-23)22-18(13-25-20(22)21-19)14-6-4-3-5-7-14/h3-13H,2H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 348.43 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).