4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile

C13H9N3S — CID 15005409

IUPAC4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
SMILESCc1nc2sccn2c1-c1ccc(C#N)cc1
InChIInChI=1S/C13H9N3S/c1-9-12(16-6-7-17-13(16)15-9)11-4-2-10(8-14)3-5-11/h2-7H,1H3
InChIKeyVGXDULRGWZYYSS-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.24
Rot. Bonds1

About 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile

4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile (PubChem CID 15005409) has the molecular formula C13H9N3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
PubChem CID15005409
Molecular FormulaC13H9N3S
Molecular Weight239.30 g/mol
Exact Mass239.05
IUPAC Name4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
SMILESCc1nc2sccn2c1-c1ccc(C#N)cc1
InChIInChI=1S/C13H9N3S/c1-9-12(16-6-7-17-13(16)15-9)11-4-2-10(8-14)3-5-11/h2-7H,1H3
InChIKeyVGXDULRGWZYYSS-UHFFFAOYSA-N
XLogP3.24
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-cyanophenyl)-N-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798139
5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 4658652
4-[[4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]triazol-1-yl]methyl]benzonitrile
CID 155255077
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile
CID 43762471
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
CID 141483083
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 852496
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
6-(4-cyanophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475883
2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 66856088
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82060231
1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone
CID 4878180

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile?
The IUPAC name of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile (CID 15005409) is 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile?
The canonical SMILES for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile is Cc1nc2sccn2c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile?
The InChIKey is VGXDULRGWZYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S/c1-9-12(16-6-7-17-13(16)15-9)11-4-2-10(8-14)3-5-11/h2-7H,1H3.
What are the key properties of 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile?
4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile has a molecular weight of 239.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile is sourced from PubChem (CID 15005409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).