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

C16H16N2O3S — CID 39199014

IUPAC3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(OC)c(-c2c(C)sc3nc(C)c(C=O)n23)c1
InChIInChI=1S/C16H16N2O3S/c1-9-13(8-19)18-15(10(2)22-16(18)17-9)12-7-11(20-3)5-6-14(12)21-4/h5-8H,1-4H3
InChIKeyKDRVPCMHVUOLKE-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.51
Rot. Bonds4

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

3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39199014) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39199014
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccc(OC)c(-c2c(C)sc3nc(C)c(C=O)n23)c1
InChIInChI=1S/C16H16N2O3S/c1-9-13(8-19)18-15(10(2)22-16(18)17-9)12-7-11(20-3)5-6-14(12)21-4/h5-8H,1-4H3
InChIKeyKDRVPCMHVUOLKE-UHFFFAOYSA-N
XLogP3.51
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.51
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-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199016
3-(3,4-dimethylphenyl)-6-(3-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198689
2-(2,5-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 82036334
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
5-(2,5-dimethoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82130831
2-[3-(2-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195038
6-(2,5-dimethoxyphenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 162395748
3-(2,4-dimethylphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198955
6-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 24822923
3-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199074
N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]formamide
CID 134315655

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39199014) is 3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1ccc(OC)c(-c2c(C)sc3nc(C)c(C=O)n23)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is KDRVPCMHVUOLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-9-13(8-19)18-15(10(2)22-16(18)17-9)12-7-11(20-3)5-6-14(12)21-4/h5-8H,1-4H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(2,5-dimethoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 316.38 g/mol, XLogP of 3.51, 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)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39199014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).