2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

C16H15N3S — CID 82062473

IUPAC2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESCC(C)c1csc2nc(-c3ccccc3)c(CC#N)n12
InChIInChI=1S/C16H15N3S/c1-11(2)14-10-20-16-18-15(12-6-4-3-5-7-12)13(8-9-17)19(14)16/h3-7,10-11H,8H2,1-2H3
InChIKeyYJCUNEOJHGQISB-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.25
Rot. Bonds3

About 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (PubChem CID 82062473) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
PubChem CID82062473
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESCC(C)c1csc2nc(-c3ccccc3)c(CC#N)n12
InChIInChI=1S/C16H15N3S/c1-11(2)14-10-20-16-18-15(12-6-4-3-5-7-12)13(8-9-17)19(14)16/h3-7,10-11H,8H2,1-2H3
InChIKeyYJCUNEOJHGQISB-UHFFFAOYSA-N
XLogP4.25
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (CID 82062473) is 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is CC(C)c1csc2nc(-c3ccccc3)c(CC#N)n12.
What is the InChIKey of 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The InChIKey is YJCUNEOJHGQISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11(2)14-10-20-16-18-15(12-6-4-3-5-7-12)13(8-9-17)19(14)16/h3-7,10-11H,8H2,1-2H3.
What are the key properties of 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile has a molecular weight of 281.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is sourced from PubChem (CID 82062473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).