2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine

C12H22N2O2S — CID 102929431

IUPAC2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCC(C)(OC)c1nc(CNCCOC)cs1
InChIInChI=1S/C12H22N2O2S/c1-5-12(2,16-4)11-14-10(9-17-11)8-13-6-7-15-3/h9,13H,5-8H2,1-4H3
InChIKeyZQQKBIOWARYEAR-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.15
Rot. Bonds8

About 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine

2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 102929431) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID102929431
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCC(C)(OC)c1nc(CNCCOC)cs1
InChIInChI=1S/C12H22N2O2S/c1-5-12(2,16-4)11-14-10(9-17-11)8-13-6-7-15-3/h9,13H,5-8H2,1-4H3
InChIKeyZQQKBIOWARYEAR-UHFFFAOYSA-N
XLogP2.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625161
2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 113461233
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82515371
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699192
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methylaniline
CID 102929482
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-cyclohexyloxyethanamine
CID 115595884
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
4-[[2-(2-methoxyethoxy)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103243896
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 113243337
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 82516321

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 102929431) is 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCC(C)(OC)c1nc(CNCCOC)cs1.
What is the InChIKey of 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is ZQQKBIOWARYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-5-12(2,16-4)11-14-10(9-17-11)8-13-6-7-15-3/h9,13H,5-8H2,1-4H3.
What are the key properties of 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 258.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 102929431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).