6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C15H9N5S2 — CID 82219442

IUPAC6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESN#Cc1c(-c2ccccn2)nc2sc(Cc3cccs3)nn12
InChIInChI=1S/C15H9N5S2/c16-9-12-14(11-5-1-2-6-17-11)18-15-20(12)19-13(22-15)8-10-4-3-7-21-10/h1-7H,8H2
InChIKeyZKGHLWXUTJPPLA-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.38
Rot. Bonds3

About 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219442) has the molecular formula C15H9N5S2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219442
Molecular FormulaC15H9N5S2
Molecular Weight323.41 g/mol
Exact Mass323.03
IUPAC Name6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESN#Cc1c(-c2ccccn2)nc2sc(Cc3cccs3)nn12
InChIInChI=1S/C15H9N5S2/c16-9-12-14(11-5-1-2-6-17-11)18-15-20(12)19-13(22-15)8-10-4-3-7-21-10/h1-7H,8H2
InChIKeyZKGHLWXUTJPPLA-UHFFFAOYSA-N
XLogP3.38
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methoxymethyl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219445
6-methyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219259
2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219437
2-(furan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219440
[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219535
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
2-(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82060257
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219377
6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219118
2-benzyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219326
2-[5-methyl-1-(thiophen-2-ylmethyl)pyrazol-3-yl]pyridine
CID 118410559

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219442) is 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is N#Cc1c(-c2ccccn2)nc2sc(Cc3cccs3)nn12.
What is the InChIKey of 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is ZKGHLWXUTJPPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5S2/c16-9-12-14(11-5-1-2-6-17-11)18-15-20(12)19-13(22-15)8-10-4-3-7-21-10/h1-7H,8H2.
What are the key properties of 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 323.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).