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

C17H17N3S — CID 82062667

IUPAC2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCc1c(C)sc2nc(-c3ccc(C)cc3)c(CC#N)n12
InChIInChI=1S/C17H17N3S/c1-4-14-12(3)21-17-19-16(15(9-10-18)20(14)17)13-7-5-11(2)6-8-13/h5-8H,4,9H2,1-3H3
InChIKeyYBMCBRZKEGCUDX-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.31
Rot. Bonds3

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

2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82062667) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82062667
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCc1c(C)sc2nc(-c3ccc(C)cc3)c(CC#N)n12
InChIInChI=1S/C17H17N3S/c1-4-14-12(3)21-17-19-16(15(9-10-18)20(14)17)13-7-5-11(2)6-8-13/h5-8H,4,9H2,1-3H3
InChIKeyYBMCBRZKEGCUDX-UHFFFAOYSA-N
XLogP4.31
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3,4-dimethylphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197244
3-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068806
2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210749
2-(2,3-dimethyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062652
2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210700
6-(4-ethylphenyl)-2,3,5-trimethylimidazo[2,1-b][1,3]thiazole
CID 83086720
6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
CID 39197288
2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062473
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82060231
2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82030121
6-(1,3-benzodioxol-5-yl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068822
2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062739

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82062667) is 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is CCc1c(C)sc2nc(-c3ccc(C)cc3)c(CC#N)n12.
What is the InChIKey of 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is YBMCBRZKEGCUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-4-14-12(3)21-17-19-16(15(9-10-18)20(14)17)13-7-5-11(2)6-8-13/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 295.41 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82062667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).