1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C12H22N2OS — CID 116727561

IUPAC1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCOC(C)(C)c1nc(C)c(C(C)NC)s1
InChIInChI=1S/C12H22N2OS/c1-7-15-12(4,5)11-14-9(3)10(16-11)8(2)13-6/h8,13H,7H2,1-6H3
InChIKeyGLLFORSGYRGOMP-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.00
Rot. Bonds5

About 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 116727561) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID116727561
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCOC(C)(C)c1nc(C)c(C(C)NC)s1
InChIInChI=1S/C12H22N2OS/c1-7-15-12(4,5)11-14-9(3)10(16-11)8(2)13-6/h8,13H,7H2,1-6H3
InChIKeyGLLFORSGYRGOMP-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727560
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727806
1-[2-[2-(4-fluorophenyl)propan-2-yl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 64770334
1-[2-(2-ethoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 116775188
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271625
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751969
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine
CID 61468852
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine
CID 82711538
N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774273
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine
CID 43769276

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 116727561) is 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CCOC(C)(C)c1nc(C)c(C(C)NC)s1.
What is the InChIKey of 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is GLLFORSGYRGOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-7-15-12(4,5)11-14-9(3)10(16-11)8(2)13-6/h8,13H,7H2,1-6H3.
What are the key properties of 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 242.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 116727561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).