2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

C16H16N4S — CID 82062489

IUPAC2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESCC(C)(C)c1nc2scc(-c3cccnc3)n2c1CC#N
InChIInChI=1S/C16H16N4S/c1-16(2,3)14-12(6-7-17)20-13(10-21-15(20)19-14)11-5-4-8-18-9-11/h4-5,8-10H,6H2,1-3H3
InChIKeyFWYPYHKZQNQJNP-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.82
Rot. Bonds2

About 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (PubChem CID 82062489) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
PubChem CID82062489
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESCC(C)(C)c1nc2scc(-c3cccnc3)n2c1CC#N
InChIInChI=1S/C16H16N4S/c1-16(2,3)14-12(6-7-17)20-13(10-21-15(20)19-14)11-5-4-8-18-9-11/h4-5,8-10H,6H2,1-3H3
InChIKeyFWYPYHKZQNQJNP-UHFFFAOYSA-N
XLogP3.82
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 93210732
2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062412
2-(6-propan-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062494
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196560
2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210774
2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062473
2-(3-pyridin-3-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062562
6-(4-methylphenyl)-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 93216195
7-amino-3-pyridin-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 139236707
2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210624

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (CID 82062489) is 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is CC(C)(C)c1nc2scc(-c3cccnc3)n2c1CC#N.
What is the InChIKey of 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The InChIKey is FWYPYHKZQNQJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-16(2,3)14-12(6-7-17)20-13(10-21-15(20)19-14)11-5-4-8-18-9-11/h4-5,8-10H,6H2,1-3H3.
What are the key properties of 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile has a molecular weight of 296.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is sourced from PubChem (CID 82062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).