6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C8H5N5OS — CID 43475639

IUPAC6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-n2cncn2)nc2sccn12
InChIInChI=1S/C8H5N5OS/c14-3-6-7(13-5-9-4-10-13)11-8-12(6)1-2-15-8/h1-5H
InChIKeyZBNIIGXYIIYGCG-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.79
Rot. Bonds2

About 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 43475639) has the molecular formula C8H5N5OS and a molecular weight of 219.23 g/mol. Its IUPAC name is 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID43475639
Molecular FormulaC8H5N5OS
Molecular Weight219.23 g/mol
Exact Mass219.02
IUPAC Name6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-n2cncn2)nc2sccn12
InChIInChI=1S/C8H5N5OS/c14-3-6-7(13-5-9-4-10-13)11-8-12(6)1-2-15-8/h1-5H
InChIKeyZBNIIGXYIIYGCG-UHFFFAOYSA-N
XLogP0.79
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 43475639) is 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-n2cncn2)nc2sccn12.
What is the InChIKey of 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ZBNIIGXYIIYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5OS/c14-3-6-7(13-5-9-4-10-13)11-8-12(6)1-2-15-8/h1-5H.
What are the key properties of 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 219.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 43475639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).