6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

C8H9N3OS — CID 107646966

IUPAC6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCCc1nc2sc(C)nn2c1C=O
InChIInChI=1S/C8H9N3OS/c1-3-6-7(4-12)11-8(9-6)13-5(2)10-11/h4H,3H2,1-2H3
InChIKeyVJLDGJBKZVSYPF-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.47
Rot. Bonds2

About 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 107646966) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID107646966
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCCc1nc2sc(C)nn2c1C=O
InChIInChI=1S/C8H9N3OS/c1-3-6-7(4-12)11-8(9-6)13-5(2)10-11/h4H,3H2,1-2H3
InChIKeyVJLDGJBKZVSYPF-UHFFFAOYSA-N
XLogP1.47
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 107646966) is 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is CCc1nc2sc(C)nn2c1C=O.
What is the InChIKey of 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is VJLDGJBKZVSYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-3-6-7(4-12)11-8(9-6)13-5(2)10-11/h4H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 195.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 107646966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).