2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde

C7H6N2OS — CID 83873482

IUPAC2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde
SMILESO=CCc1cn2ccnc2s1
InChIInChI=1S/C7H6N2OS/c10-4-1-6-5-9-3-2-8-7(9)11-6/h2-5H,1H2
InChIKeyUISDCXJGPXBYIN-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.14
Rot. Bonds2

About 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde

2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde (PubChem CID 83873482) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde
PubChem CID83873482
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde
SMILESO=CCc1cn2ccnc2s1
InChIInChI=1S/C7H6N2OS/c10-4-1-6-5-9-3-2-8-7(9)11-6/h2-5H,1H2
InChIKeyUISDCXJGPXBYIN-UHFFFAOYSA-N
XLogP1.14
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-imidazo[2,1-b][1,3]thiazol-2-ylpropanoic acid
CID 82399636
N'-hydroxy-2-imidazo[2,1-b][1,3]thiazol-2-ylethanimidamide
CID 83879846
2-bromoimidazo[2,1-b][1,3]thiazole
CID 45158653
2-imidazo[1,2-a]pyridin-6-ylacetaldehyde
CID 54198783
2-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 20850051
2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol
CID 146140550
(2-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazol-4-yl)methanamine
CID 82389158
2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde
CID 88920036
2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089914
2-(4-bromo-2-pyridinyl)acetaldehyde
CID 53403630
2-methylimidazo[1,2-a]pyrazine-8-carbaldehyde
CID 84651184
2-[5-(2,3-diamino-4-pyridinyl)thiophen-2-yl]acetaldehyde
CID 118946252

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde (CID 83873482) is 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde is O=CCc1cn2ccnc2s1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde?
The InChIKey is UISDCXJGPXBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-4-1-6-5-9-3-2-8-7(9)11-6/h2-5H,1H2.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde?
2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde has a molecular weight of 166.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde is sourced from PubChem (CID 83873482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).