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

C19H21N3S — CID 82062412

IUPAC2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1ccc(-c2csc3nc(C(C)(C)C)c(CC#N)n23)c(C)c1
InChIInChI=1S/C19H21N3S/c1-12-6-7-14(13(2)10-12)16-11-23-18-21-17(19(3,4)5)15(8-9-20)22(16)18/h6-7,10-11H,8H2,1-5H3
InChIKeyVSPNYWOOROCUOQ-UHFFFAOYSA-N
MW323.47 g/mol
LogP5.04
Rot. Bonds2

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

2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82062412) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82062412
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1ccc(-c2csc3nc(C(C)(C)C)c(CC#N)n23)c(C)c1
InChIInChI=1S/C19H21N3S/c1-12-6-7-14(13(2)10-12)16-11-23-18-21-17(19(3,4)5)15(8-9-20)22(16)18/h6-7,10-11H,8H2,1-5H3
InChIKeyVSPNYWOOROCUOQ-UHFFFAOYSA-N
XLogP5.04
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-tert-butyl-3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062401
2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062489
2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210774
6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 82061936
2-(6-propan-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062494
2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210749
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
2-(6-tert-butyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062518
3-(2,4-dimethylphenyl)-6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198429
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-[2-(2,4-dimethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060558
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196560

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82062412) is 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is Cc1ccc(-c2csc3nc(C(C)(C)C)c(CC#N)n23)c(C)c1.
What is the InChIKey of 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is VSPNYWOOROCUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-12-6-7-14(13(2)10-12)16-11-23-18-21-17(19(3,4)5)15(8-9-20)22(16)18/h6-7,10-11H,8H2,1-5H3.
What are the key properties of 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 323.47 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82062412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).