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

C12H19N3S — CID 103097442

IUPAC2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCCC(N)(CC)c1csc(C(C)(C)C#N)n1
InChIInChI=1S/C12H19N3S/c1-5-12(14,6-2)9-7-16-10(15-9)11(3,4)8-13/h7H,5-6,14H2,1-4H3
InChIKeyJNZJVGDKXGDWJG-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.92
Rot. Bonds4

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

2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile (PubChem CID 103097442) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
PubChem CID103097442
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCCC(N)(CC)c1csc(C(C)(C)C#N)n1
InChIInChI=1S/C12H19N3S/c1-5-12(14,6-2)9-7-16-10(15-9)11(3,4)8-13/h7H,5-6,14H2,1-4H3
InChIKeyJNZJVGDKXGDWJG-UHFFFAOYSA-N
XLogP2.92
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile (CID 103097442) is 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile is CCC(N)(CC)c1csc(C(C)(C)C#N)n1.
What is the InChIKey of 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The InChIKey is JNZJVGDKXGDWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-5-12(14,6-2)9-7-16-10(15-9)11(3,4)8-13/h7H,5-6,14H2,1-4H3.
What are the key properties of 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile has a molecular weight of 237.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopentan-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 103097442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).