6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

C15H9N3OS2 — CID 15954485

IUPAC6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nc2sc(-c3cccs3)nn12
InChIInChI=1S/C15H9N3OS2/c19-9-11-13(10-5-2-1-3-6-10)16-15-18(11)17-14(21-15)12-7-4-8-20-12/h1-9H
InChIKeyDDOWEHQFLZBDJY-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.00
Rot. Bonds3

About 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 15954485) has the molecular formula C15H9N3OS2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID15954485
Molecular FormulaC15H9N3OS2
Molecular Weight311.39 g/mol
Exact Mass311.02
IUPAC Name6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nc2sc(-c3cccs3)nn12
InChIInChI=1S/C15H9N3OS2/c19-9-11-13(10-5-2-1-3-6-10)16-15-18(11)17-14(21-15)12-7-4-8-20-12/h1-9H
InChIKeyDDOWEHQFLZBDJY-UHFFFAOYSA-N
XLogP4.00
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 15954485) is 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is O=Cc1c(-c2ccccc2)nc2sc(-c3cccs3)nn12.
What is the InChIKey of 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is DDOWEHQFLZBDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS2/c19-9-11-13(10-5-2-1-3-6-10)16-15-18(11)17-14(21-15)12-7-4-8-20-12/h1-9H.
What are the key properties of 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 311.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 15954485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).