2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C11H20N2S — CID 79154268

IUPAC2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CC(C)(C)C)sc1CCN
InChIInChI=1S/C11H20N2S/c1-8-9(5-6-12)14-10(13-8)7-11(2,3)4/h5-7,12H2,1-4H3
InChIKeyWWDRNQDBCSRHAP-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.54
Rot. Bonds3

About 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 79154268) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID79154268
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CC(C)(C)C)sc1CCN
InChIInChI=1S/C11H20N2S/c1-8-9(5-6-12)14-10(13-8)7-11(2,3)4/h5-7,12H2,1-4H3
InChIKeyWWDRNQDBCSRHAP-UHFFFAOYSA-N
XLogP2.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 79154268) is 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(CC(C)(C)C)sc1CCN.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is WWDRNQDBCSRHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8-9(5-6-12)14-10(13-8)7-11(2,3)4/h5-7,12H2,1-4H3.
What are the key properties of 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 212.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79154268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).