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

C13H9N5S — CID 82219437

IUPAC2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESN#Cc1c(-c2ccccn2)nc2sc(C3CC3)nn12
InChIInChI=1S/C13H9N5S/c14-7-10-11(9-3-1-2-6-15-9)16-13-18(10)17-12(19-13)8-4-5-8/h1-3,6,8H,4-5H2
InChIKeyZJQLPVKJKINOCR-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.60
Rot. Bonds2

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

2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219437) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219437
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC Name2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESN#Cc1c(-c2ccccn2)nc2sc(C3CC3)nn12
InChIInChI=1S/C13H9N5S/c14-7-10-11(9-3-1-2-6-15-9)16-13-18(10)17-12(19-13)8-4-5-8/h1-3,6,8H,4-5H2
InChIKeyZJQLPVKJKINOCR-UHFFFAOYSA-N
XLogP2.60
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961329
2-(methoxymethyl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219445
2-(furan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219440
2-cyclopropyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219120
6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219442
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219460
[2-(oxolan-2-yl)-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219873
2-(5-bromo-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol
CID 54768928
2-cyclopropyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 91112134
2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219377
3-[(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 87302475
(1S,8R)-3,6-dipyridin-2-yl-4,5-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 102119858

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219437) is 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is N#Cc1c(-c2ccccn2)nc2sc(C3CC3)nn12.
What is the InChIKey of 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is ZJQLPVKJKINOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c14-7-10-11(9-3-1-2-6-15-9)16-13-18(10)17-12(19-13)8-4-5-8/h1-3,6,8H,4-5H2.
What are the key properties of 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 267.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-pyridin-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).