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

C6H3ClN4S — CID 134612538

IUPAC6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1nn2c(C#N)c(Cl)nc2s1
InChIInChI=1S/C6H3ClN4S/c1-3-10-11-4(2-8)5(7)9-6(11)12-3/h1H3
InChIKeyVBILNCOVHMDHBV-UHFFFAOYSA-N
MW198.64 g/mol
LogP1.62
Rot. Bonds

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

6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 134612538) has the molecular formula C6H3ClN4S and a molecular weight of 198.64 g/mol. Its IUPAC name is 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID134612538
Molecular FormulaC6H3ClN4S
Molecular Weight198.64 g/mol
Exact Mass197.98
IUPAC Name6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCc1nn2c(C#N)c(Cl)nc2s1
InChIInChI=1S/C6H3ClN4S/c1-3-10-11-4(2-8)5(7)9-6(11)12-3/h1H3
InChIKeyVBILNCOVHMDHBV-UHFFFAOYSA-N
XLogP1.62
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.64
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-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
6-(3,4-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 94961223
6-methyl-2-(trichloromethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219292
6-(4-butan-2-ylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219497
2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219272
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-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
2,5-dimethyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646622
2-propan-2-yl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219370
6-methyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219259
3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 134612648

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 134612538) is 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is Cc1nn2c(C#N)c(Cl)nc2s1.
What is the InChIKey of 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is VBILNCOVHMDHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4S/c1-3-10-11-4(2-8)5(7)9-6(11)12-3/h1H3.
What are the key properties of 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 198.64 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 134612538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).