6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C16H16N2O2S — CID 3819350

IUPAC6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1c(C)cc(-c2nc3sccn3c2C=O)cc1C
InChIInChI=1S/C16H16N2O2S/c1-4-20-15-10(2)7-12(8-11(15)3)14-13(9-19)18-5-6-21-16(18)17-14/h5-9H,4H2,1-3H3
InChIKeyODNMILDPOHMZFA-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.89
Rot. Bonds4

About 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 3819350) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID3819350
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCOc1c(C)cc(-c2nc3sccn3c2C=O)cc1C
InChIInChI=1S/C16H16N2O2S/c1-4-20-15-10(2)7-12(8-11(15)3)14-13(9-19)18-5-6-21-16(18)17-14/h5-9H,4H2,1-3H3
InChIKeyODNMILDPOHMZFA-UHFFFAOYSA-N
XLogP3.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 4552709
6-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3524913
6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 712406
6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635628
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
ethyl 3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 169481294
6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
6-(2-ethoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780522
6-(4-isocyanophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635630
6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 112728119
6-(3-tert-butyl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758996

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 3819350) is 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCOc1c(C)cc(-c2nc3sccn3c2C=O)cc1C.
What is the InChIKey of 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ODNMILDPOHMZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-4-20-15-10(2)7-12(8-11(15)3)14-13(9-19)18-5-6-21-16(18)17-14/h5-9H,4H2,1-3H3.
What are the key properties of 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 300.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 3819350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).