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

C20H16N2O3S — CID 39198905

IUPAC6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(OC)c(-c2nc3scc(-c4ccccc4)n3c2C=O)c1
InChIInChI=1S/C20H16N2O3S/c1-24-14-8-9-18(25-2)15(10-14)19-16(11-23)22-17(12-26-20(22)21-19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyDHOZXGWATPMPDS-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.56
Rot. Bonds5

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

6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198905) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198905
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(OC)c(-c2nc3scc(-c4ccccc4)n3c2C=O)c1
InChIInChI=1S/C20H16N2O3S/c1-24-14-8-9-18(25-2)15(10-14)19-16(11-23)22-17(12-26-20(22)21-19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyDHOZXGWATPMPDS-UHFFFAOYSA-N
XLogP4.56
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.56
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

3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199016
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
6-(3-methoxyphenyl)-3-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198698
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199009
2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036334
6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 162395748
3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 10935707
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
6-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198905) is 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1ccc(OC)c(-c2nc3scc(-c4ccccc4)n3c2C=O)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is DHOZXGWATPMPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-24-14-8-9-18(25-2)15(10-14)19-16(11-23)22-17(12-26-20(22)21-19)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 364.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).