3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C7H6N2OS — CID 21256490

IUPAC3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1csc2ncc(C=O)n12
InChIInChI=1S/C7H6N2OS/c1-5-4-11-7-8-2-6(3-10)9(5)7/h2-4H,1H3
InChIKeyGWTMCNCUQWRJDL-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.52
Rot. Bonds1

About 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 21256490) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID21256490
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1csc2ncc(C=O)n12
InChIInChI=1S/C7H6N2OS/c1-5-4-11-7-8-2-6(3-10)9(5)7/h2-4H,1H3
InChIKeyGWTMCNCUQWRJDL-UHFFFAOYSA-N
XLogP1.52
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 21256490) is 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1csc2ncc(C=O)n12.
What is the InChIKey of 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is GWTMCNCUQWRJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-5-4-11-7-8-2-6(3-10)9(5)7/h2-4H,1H3.
What are the key properties of 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 166.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 21256490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).