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

C8H8N2OS — CID 2785411

IUPAC3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1nc2scc(C)n2c1C=O
InChIInChI=1S/C8H8N2OS/c1-5-4-12-8-9-6(2)7(3-11)10(5)8/h3-4H,1-2H3
InChIKeyZQFFVLCBWVWJTJ-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.83
Rot. Bonds1

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

3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 2785411) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID2785411
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1nc2scc(C)n2c1C=O
InChIInChI=1S/C8H8N2OS/c1-5-4-12-8-9-6(2)7(3-11)10(5)8/h3-4H,1-2H3
InChIKeyZQFFVLCBWVWJTJ-UHFFFAOYSA-N
XLogP1.83
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.83
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 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 2785411) is 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1nc2scc(C)n2c1C=O.
What is the InChIKey of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ZQFFVLCBWVWJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-4-12-8-9-6(2)7(3-11)10(5)8/h3-4H,1-2H3.
What are the key properties of 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 180.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 2785411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).