2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C7H6N4S — CID 82219230

IUPAC2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1nn2c(C#N)c(C)nc2s1
InChIInChI=1S/C7H6N4S/c1-4-6(3-8)11-7(9-4)12-5(2)10-11/h1-2H3
InChIKeyWWBNKALSHONJHU-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.28
Rot. Bonds

About 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219230) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219230
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1nn2c(C#N)c(C)nc2s1
InChIInChI=1S/C7H6N4S/c1-4-6(3-8)11-7(9-4)12-5(2)10-11/h1-2H3
InChIKeyWWBNKALSHONJHU-UHFFFAOYSA-N
XLogP1.28
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 134612538
6-methyl-2-(trichloromethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219292
2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219272
6-methyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219259
6-(3,4-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961223
6-(4-butan-2-ylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219497
6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219220
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961415
6-ethynyl-2,5-dimethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646710
2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646622
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219003

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219230) is 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is Cc1nn2c(C#N)c(C)nc2s1.
What is the InChIKey of 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is WWBNKALSHONJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1-4-6(3-8)11-7(9-4)12-5(2)10-11/h1-2H3.
What are the key properties of 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 178.22 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).