2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C12H7ClN4S — CID 82219272

IUPAC2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1nc2sc(-c3ccc(Cl)cc3)nn2c1C#N
InChIInChI=1S/C12H7ClN4S/c1-7-10(6-14)17-12(15-7)18-11(16-17)8-2-4-9(13)5-3-8/h2-5H,1H3
InChIKeyBSVREHQIMHZVJQ-UHFFFAOYSA-N
MW274.74 g/mol
LogP3.29
Rot. Bonds1

About 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219272) has the molecular formula C12H7ClN4S and a molecular weight of 274.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219272
Molecular FormulaC12H7ClN4S
Molecular Weight274.74 g/mol
Exact Mass274.01
IUPAC Name2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1nc2sc(-c3ccc(Cl)cc3)nn2c1C#N
InChIInChI=1S/C12H7ClN4S/c1-7-10(6-14)17-12(15-7)18-11(16-17)8-2-4-9(13)5-3-8/h2-5H,1H3
InChIKeyBSVREHQIMHZVJQ-UHFFFAOYSA-N
XLogP3.29
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219230
2-(4-methylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961253
6-methyl-2-(trichloromethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219292
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
3-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929794
2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219377
6-(3,4-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961223
2-(4-chlorophenyl)-6-cyano-7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyridine-8-carboxylic acid
CID 15253192
6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 134612538
2-(4-chlorophenyl)-7-methyl-6-(2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 164614662
6-(4-chlorophenyl)-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850292
6-(4-chlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 935976

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219272) is 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is Cc1nc2sc(-c3ccc(Cl)cc3)nn2c1C#N.
What is the InChIKey of 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is BSVREHQIMHZVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4S/c1-7-10(6-14)17-12(15-7)18-11(16-17)8-2-4-9(13)5-3-8/h2-5H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 274.74 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).