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

C8H8N2OS — CID 9115270

IUPAC2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cn2c(C=O)c(C)nc2s1
InChIInChI=1S/C8H8N2OS/c1-5-3-10-7(4-11)6(2)9-8(10)12-5/h3-4H,1-2H3
InChIKeyQYPQGPDZMPQWMT-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.83
Rot. Bonds1

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

2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 9115270) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID9115270
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cn2c(C=O)c(C)nc2s1
InChIInChI=1S/C8H8N2OS/c1-5-3-10-7(4-11)6(2)9-8(10)12-5/h3-4H,1-2H3
InChIKeyQYPQGPDZMPQWMT-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 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 9115270) is 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1cn2c(C=O)c(C)nc2s1.
What is the InChIKey of 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is QYPQGPDZMPQWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-3-10-7(4-11)6(2)9-8(10)12-5/h3-4H,1-2H3.
What are the key properties of 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2,6-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 2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 9115270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).