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

C11H16N2S — CID 116865207

IUPAC2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
SMILESCC(C)Cc1csc(C(C)(C)C#N)n1
InChIInChI=1S/C11H16N2S/c1-8(2)5-9-6-14-10(13-9)11(3,4)7-12/h6,8H,5H2,1-4H3
InChIKeyCZEWYZUZVOKYST-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.14
Rot. Bonds3

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

2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile (PubChem CID 116865207) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
PubChem CID116865207
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
SMILESCC(C)Cc1csc(C(C)(C)C#N)n1
InChIInChI=1S/C11H16N2S/c1-8(2)5-9-6-14-10(13-9)11(3,4)7-12/h6,8H,5H2,1-4H3
InChIKeyCZEWYZUZVOKYST-UHFFFAOYSA-N
XLogP3.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(butan-2-ylamino)methyl]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097439
3-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485638
2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097424
2-[4-(1-amino-3-methylbutan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097458
2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097442
2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097202
2-amino-2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 103097346
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 103097342
N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 58115634
2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097280
2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile (CID 116865207) is 2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile is CC(C)Cc1csc(C(C)(C)C#N)n1.
What is the InChIKey of 2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile?
The InChIKey is CZEWYZUZVOKYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8(2)5-9-6-14-10(13-9)11(3,4)7-12/h6,8H,5H2,1-4H3.
What are the key properties of 2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile?
2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile has a molecular weight of 208.33 g/mol, XLogP of 3.14, 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-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile is sourced from PubChem (CID 116865207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).