2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile

C11H14N2S — CID 116890193

IUPAC2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1csc(C2CCC2)n1
InChIInChI=1S/C11H14N2S/c1-11(2,7-12)9-6-14-10(13-9)8-4-3-5-8/h6,8H,3-5H2,1-2H3
InChIKeyILJUBVXXTMRTQE-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.21
Rot. Bonds2

About 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile

2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile (PubChem CID 116890193) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile
PubChem CID116890193
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1csc(C2CCC2)n1
InChIInChI=1S/C11H14N2S/c1-11(2,7-12)9-6-14-10(13-9)8-4-3-5-8/h6,8H,3-5H2,1-2H3
InChIKeyILJUBVXXTMRTQE-UHFFFAOYSA-N
XLogP3.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile (CID 116890193) is 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile is CC(C)(C#N)c1csc(C2CCC2)n1.
What is the InChIKey of 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile?
The InChIKey is ILJUBVXXTMRTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-11(2,7-12)9-6-14-10(13-9)8-4-3-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile?
2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile has a molecular weight of 206.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-1,3-thiazol-4-yl)-2-methylpropanenitrile is sourced from PubChem (CID 116890193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).