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

C13H9ClN4S — CID 82219051

IUPAC6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCc1nn2c(C#N)c(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C13H9ClN4S/c1-2-11-17-18-10(7-15)12(16-13(18)19-11)8-3-5-9(14)6-4-8/h3-6H,2H2,1H3
InChIKeyQLRQKNLIAWGZPS-UHFFFAOYSA-N
MW288.76 g/mol
LogP3.55
Rot. Bonds2

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

6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219051) has the molecular formula C13H9ClN4S and a molecular weight of 288.76 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219051
Molecular FormulaC13H9ClN4S
Molecular Weight288.76 g/mol
Exact Mass288.02
IUPAC Name6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCCc1nn2c(C#N)c(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C13H9ClN4S/c1-2-11-17-18-10(7-15)12(16-13(18)19-11)8-3-5-9(14)6-4-8/h3-6H,2H2,1H3
InChIKeyQLRQKNLIAWGZPS-UHFFFAOYSA-N
XLogP3.55
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219003
6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219042
6-(4-fluoro-3-methylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219457
6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219518
6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219118
2-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219272
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
2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219364
6-(3,4-dimethylphenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219031
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219460
2-cyclopropyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219120

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219051) is 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is CCc1nn2c(C#N)c(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is QLRQKNLIAWGZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4S/c1-2-11-17-18-10(7-15)12(16-13(18)19-11)8-3-5-9(14)6-4-8/h3-6H,2H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 288.76 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).