[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C12H22N2S — CID 114361240

IUPAC[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CC(C)(C)C)sc1CN
InChIInChI=1S/C12H22N2S/c1-5-6-9-10(8-13)15-11(14-9)7-12(2,3)4/h5-8,13H2,1-4H3
InChIKeyKVKKPIILLYWFEI-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.14
Rot. Bonds4

About [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361240) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361240
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(CC(C)(C)C)sc1CN
InChIInChI=1S/C12H22N2S/c1-5-6-9-10(8-13)15-11(14-9)7-12(2,3)4/h5-8,13H2,1-4H3
InChIKeyKVKKPIILLYWFEI-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine 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-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114361240) is [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(CC(C)(C)C)sc1CN.
What is the InChIKey of [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is KVKKPIILLYWFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-6-9-10(8-13)15-11(14-9)7-12(2,3)4/h5-8,13H2,1-4H3.
What are the key properties of [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 226.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).