2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C16H15N5S — CID 94961329

IUPAC2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESN#Cc1c(-c2ccncc2)nc2sc(C3CCCCC3)nn12
InChIInChI=1S/C16H15N5S/c17-10-13-14(11-6-8-18-9-7-11)19-16-21(13)20-15(22-16)12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKeyCLOULYXJHGREFK-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.77
Rot. Bonds2

About 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 94961329) has the molecular formula C16H15N5S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID94961329
Molecular FormulaC16H15N5S
Molecular Weight309.40 g/mol
Exact Mass309.10
IUPAC Name2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESN#Cc1c(-c2ccncc2)nc2sc(C3CCCCC3)nn12
InChIInChI=1S/C16H15N5S/c17-10-13-14(11-6-8-18-9-7-11)19-16-21(13)20-15(22-16)12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKeyCLOULYXJHGREFK-UHFFFAOYSA-N
XLogP3.77
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219437
2-cyclopropyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219120
2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219377
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219460
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219083
2-propan-2-yl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219370
2-cyclohexyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197993
2-cyclooctylimidazo[2,1-b][1,3,4]thiadiazole
CID 131999174
6-cyclohexyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932850
[2-cyclobutyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961521
2-cyclopropyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197951
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 94961329) is 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is N#Cc1c(-c2ccncc2)nc2sc(C3CCCCC3)nn12.
What is the InChIKey of 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is CLOULYXJHGREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S/c17-10-13-14(11-6-8-18-9-7-11)19-16-21(13)20-15(22-16)12-4-2-1-3-5-12/h6-9,12H,1-5H2.
What are the key properties of 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 309.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 94961329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).