2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile

C16H18N2S — CID 103097280

IUPAC2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
SMILESCc1cc(C)c(-c2csc(C(C)(C)C#N)n2)c(C)c1
InChIInChI=1S/C16H18N2S/c1-10-6-11(2)14(12(3)7-10)13-8-19-15(18-13)16(4,5)9-17/h6-8H,1-5H3
InChIKeyXOSSVAZBHVOFBX-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.54
Rot. Bonds2

About 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile

2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile (PubChem CID 103097280) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
PubChem CID103097280
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
SMILESCc1cc(C)c(-c2csc(C(C)(C)C#N)n2)c(C)c1
InChIInChI=1S/C16H18N2S/c1-10-6-11(2)14(12(3)7-10)13-8-19-15(18-13)16(4,5)9-17/h6-8H,1-5H3
InChIKeyXOSSVAZBHVOFBX-UHFFFAOYSA-N
XLogP4.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865217
2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097298
2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097202
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
CID 103097257
2-methyl-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097271
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4316740
2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
CID 116865207
2-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865218
2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 103097342
2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097442
3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanoic acid
CID 94284207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile (CID 103097280) is 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile is Cc1cc(C)c(-c2csc(C(C)(C)C#N)n2)c(C)c1.
What is the InChIKey of 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile?
The InChIKey is XOSSVAZBHVOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-10-6-11(2)14(12(3)7-10)13-8-19-15(18-13)16(4,5)9-17/h6-8H,1-5H3.
What are the key properties of 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile?
2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile has a molecular weight of 270.40 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile is sourced from PubChem (CID 103097280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).