2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile

C16H18N2S — CID 103097202

IUPAC2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
SMILESCC(C)c1ccc(-c2csc(C(C)(C)C#N)n2)cc1
InChIInChI=1S/C16H18N2S/c1-11(2)12-5-7-13(8-6-12)14-9-19-15(18-14)16(3,4)10-17/h5-9,11H,1-4H3
InChIKeySGKCRSZOFYIPNF-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.73
Rot. Bonds3

About 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile

2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile (PubChem CID 103097202) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
PubChem CID103097202
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
SMILESCC(C)c1ccc(-c2csc(C(C)(C)C#N)n2)cc1
InChIInChI=1S/C16H18N2S/c1-11(2)12-5-7-13(8-6-12)14-9-19-15(18-14)16(3,4)10-17/h5-9,11H,1-4H3
InChIKeySGKCRSZOFYIPNF-UHFFFAOYSA-N
XLogP4.73
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097271
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097280
2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
CID 116865207
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
CID 103097257
2-[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865217
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61336472
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile
CID 143997025
2-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865218
2-(1-methyltriazol-4-yl)-4-(4-propan-2-ylphenyl)-1,3-thiazole
CID 155952273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile (CID 103097202) is 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile is CC(C)c1ccc(-c2csc(C(C)(C)C#N)n2)cc1.
What is the InChIKey of 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile?
The InChIKey is SGKCRSZOFYIPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-11(2)12-5-7-13(8-6-12)14-9-19-15(18-14)16(3,4)10-17/h5-9,11H,1-4H3.
What are the key properties of 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile?
2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile has a molecular weight of 270.40 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile is sourced from PubChem (CID 103097202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).