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

C13H10N2O2S — CID 82062066

IUPAC3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde
SMILESCOc1ccccc1-c1csc2nc(C=O)cn12
InChIInChI=1S/C13H10N2O2S/c1-17-12-5-3-2-4-10(12)11-8-18-13-14-9(7-16)6-15(11)13/h2-8H,1H3
InChIKeyQVEHNEHOXQHEHJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.88
Rot. Bonds3

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

3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde (PubChem CID 82062066) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde
PubChem CID82062066
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde
SMILESCOc1ccccc1-c1csc2nc(C=O)cn12
InChIInChI=1S/C13H10N2O2S/c1-17-12-5-3-2-4-10(12)11-8-18-13-14-9(7-16)6-15(11)13/h2-8H,1H3
InChIKeyQVEHNEHOXQHEHJ-UHFFFAOYSA-N
XLogP2.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479014
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3338842
3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199009
[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 98020701
3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carbaldehyde
CID 82062059
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194918
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
CID 83823686
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780733

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The IUPAC name of 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde (CID 82062066) is 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde.
What is the SMILES notation for 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The canonical SMILES for 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde is COc1ccccc1-c1csc2nc(C=O)cn12.
What is the InChIKey of 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
The InChIKey is QVEHNEHOXQHEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-12-5-3-2-4-10(12)11-8-18-13-14-9(7-16)6-15(11)13/h2-8H,1H3.
What are the key properties of 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde?
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde has a molecular weight of 258.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carbaldehyde is sourced from PubChem (CID 82062066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).