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

C15H14N2O3S — CID 39199016

IUPAC3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(OC)c(-c2csc3nc(C)c(C=O)n23)c1
InChIInChI=1S/C15H14N2O3S/c1-9-12(7-18)17-13(8-21-15(17)16-9)11-6-10(19-2)4-5-14(11)20-3/h4-8H,1-3H3
InChIKeyXCUMFWKTJDZTRI-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.20
Rot. Bonds4

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

3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39199016) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39199016
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(OC)c(-c2csc3nc(C)c(C=O)n23)c1
InChIInChI=1S/C15H14N2O3S/c1-9-12(7-18)17-13(8-21-15(17)16-9)11-6-10(19-2)4-5-14(11)20-3/h4-8H,1-3H3
InChIKeyXCUMFWKTJDZTRI-UHFFFAOYSA-N
XLogP3.20
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.20
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-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199009
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199014
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198947
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194918
2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036334

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39199016) is 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1ccc(OC)c(-c2csc3nc(C)c(C=O)n23)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is XCUMFWKTJDZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-12(7-18)17-13(8-21-15(17)16-9)11-6-10(19-2)4-5-14(11)20-3/h4-8H,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 302.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39199016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).