2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

C11H17N3S — CID 103097424

IUPAC2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCC(C)C(N)c1csc(C(C)(C)C#N)n1
InChIInChI=1S/C11H17N3S/c1-7(2)9(13)8-5-15-10(14-8)11(3,4)6-12/h5,7,9H,13H2,1-4H3
InChIKeyMWGWLHNPIOFZHX-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.60
Rot. Bonds3

About 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile (PubChem CID 103097424) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
PubChem CID103097424
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCC(C)C(N)c1csc(C(C)(C)C#N)n1
InChIInChI=1S/C11H17N3S/c1-7(2)9(13)8-5-15-10(14-8)11(3,4)6-12/h5,7,9H,13H2,1-4H3
InChIKeyMWGWLHNPIOFZHX-UHFFFAOYSA-N
XLogP2.60
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-amino-3-methylbutan-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097458
2-amino-2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 103097346
2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
CID 116865207
1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 84770829
2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097442
1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 84772376
2-methyl-2-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097202
2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 61337262
2-[4-[(butan-2-ylamino)methyl]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097439
2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 103097342
2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 22975254
2-methyl-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile (CID 103097424) is 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile is CC(C)C(N)c1csc(C(C)(C)C#N)n1.
What is the InChIKey of 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The InChIKey is MWGWLHNPIOFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7(2)9(13)8-5-15-10(14-8)11(3,4)6-12/h5,7,9H,13H2,1-4H3.
What are the key properties of 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile has a molecular weight of 223.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 103097424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).