2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine

C11H20N2S — CID 116884551

IUPAC2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCNCCc1sc(C(C)(C)C)nc1C
InChIInChI=1S/C11H20N2S/c1-8-9(6-7-12-5)14-10(13-8)11(2,3)4/h12H,6-7H2,1-5H3
InChIKeyGMJHMLFTAAQWGL-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine

2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine (PubChem CID 116884551) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
PubChem CID116884551
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCNCCc1sc(C(C)(C)C)nc1C
InChIInChI=1S/C11H20N2S/c1-8-9(6-7-12-5)14-10(13-8)11(2,3)4/h12H,6-7H2,1-5H3
InChIKeyGMJHMLFTAAQWGL-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-methyl-2-methylsulfonyl-1,3-thiazol-5-yl)ethanamine
CID 83896232
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777834
1-[2-tert-butyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368318
2-tert-butyl-5-methyl-4-propyl-1,3-thiazole
CID 166828190
N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884752
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432329
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782811
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide
CID 110395145
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine (CID 116884551) is 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine is CNCCc1sc(C(C)(C)C)nc1C.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The InChIKey is GMJHMLFTAAQWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8-9(6-7-12-5)14-10(13-8)11(2,3)4/h12H,6-7H2,1-5H3.
What are the key properties of 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine has a molecular weight of 212.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 116884551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).