2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C15H14N4S — CID 82219326

IUPAC2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCC(C)c1nc2sc(Cc3ccccc3)nn2c1C#N
InChIInChI=1S/C15H14N4S/c1-10(2)14-12(9-16)19-15(17-14)20-13(18-19)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3
InChIKeyRLILRKREZNQARO-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.38
Rot. Bonds3

About 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219326) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219326
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCC(C)c1nc2sc(Cc3ccccc3)nn2c1C#N
InChIInChI=1S/C15H14N4S/c1-10(2)14-12(9-16)19-15(17-14)20-13(18-19)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3
InChIKeyRLILRKREZNQARO-UHFFFAOYSA-N
XLogP3.38
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219326) is 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is CC(C)c1nc2sc(Cc3ccccc3)nn2c1C#N.
What is the InChIKey of 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is RLILRKREZNQARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10(2)14-12(9-16)19-15(17-14)20-13(18-19)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3.
What are the key properties of 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 282.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).