6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C21H18N2O3S — CID 39198900

IUPAC6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1nc2scc(-c3cccc(OC)c3)n2c1C=O
InChIInChI=1S/C21H18N2O3S/c1-3-26-19-10-5-4-9-16(19)20-17(12-24)23-18(13-27-21(23)22-20)14-7-6-8-15(11-14)25-2/h4-13H,3H2,1-2H3
InChIKeyZTXFTTJMSBAULB-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.95
Rot. Bonds6

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

6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198900) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198900
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1nc2scc(-c3cccc(OC)c3)n2c1C=O
InChIInChI=1S/C21H18N2O3S/c1-3-26-19-10-5-4-9-16(19)20-17(12-24)23-18(13-27-21(23)22-20)14-7-6-8-15(11-14)25-2/h4-13H,3H2,1-2H3
InChIKeyZTXFTTJMSBAULB-UHFFFAOYSA-N
XLogP4.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
6-(3-methoxyphenyl)-3-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198698
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199009
3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199016
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-cyclohexyl-6-(2-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198012
3-(2-ethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068640
3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13105911

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198900) is 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCOc1ccccc1-c1nc2scc(-c3cccc(OC)c3)n2c1C=O.
What is the InChIKey of 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ZTXFTTJMSBAULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-3-26-19-10-5-4-9-16(19)20-17(12-24)23-18(13-27-21(23)22-20)14-7-6-8-15(11-14)25-2/h4-13H,3H2,1-2H3.
What are the key properties of 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 378.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).