2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

C15H13N3S — CID 82060231

IUPAC2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1ccc(-c2nc3sccn3c2CC#N)cc1C
InChIInChI=1S/C15H13N3S/c1-10-3-4-12(9-11(10)2)14-13(5-6-16)18-7-8-19-15(18)17-14/h3-4,7-9H,5H2,1-2H3
InChIKeyXHTYOYLXXZBQAS-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.75
Rot. Bonds2

About 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82060231) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82060231
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1ccc(-c2nc3sccn3c2CC#N)cc1C
InChIInChI=1S/C15H13N3S/c1-10-3-4-12(9-11(10)2)14-13(5-6-16)18-7-8-19-15(18)17-14/h3-4,7-9H,5H2,1-2H3
InChIKeyXHTYOYLXXZBQAS-UHFFFAOYSA-N
XLogP3.75
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82060234
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
2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82343208
2-(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82060257
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
2-[6-tert-butyl-3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062401
2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210700
6-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3421467
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 116889988
CID 89392602
CID 89392602
N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine
CID 3913312

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82060231) is 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is Cc1ccc(-c2nc3sccn3c2CC#N)cc1C.
What is the InChIKey of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is XHTYOYLXXZBQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-3-4-12(9-11(10)2)14-13(5-6-16)18-7-8-19-15(18)17-14/h3-4,7-9H,5H2,1-2H3.
What are the key properties of 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 267.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82060231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).