2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine

C12H22N2OS — CID 62543117

IUPAC2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(CC)C(NCCOC)c1nccs1
InChIInChI=1S/C12H22N2OS/c1-4-10(5-2)11(13-6-8-15-3)12-14-7-9-16-12/h7,9-11,13H,4-6,8H2,1-3H3
InChIKeyKCBLSNPMGOYYFP-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.86
Rot. Bonds8

About 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine

2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine (PubChem CID 62543117) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
PubChem CID62543117
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
SMILESCCC(CC)C(NCCOC)c1nccs1
InChIInChI=1S/C12H22N2OS/c1-4-10(5-2)11(13-6-8-15-3)12-14-7-9-16-12/h7,9-11,13H,4-6,8H2,1-3H3
InChIKeyKCBLSNPMGOYYFP-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
2-methyl-N-propyl-1-(1,3-thiazol-2-yl)propan-1-amine
CID 61332596
2-methoxy-N-[(4-propoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62540693
N-(2-methoxyethyl)-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-amine
CID 103089624
N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine
CID 61330921
1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585087
N-[(2,3-difluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 63669287
2-methoxy-N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 62544424
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968
N-[(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 65101059
N-[(3-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 81155173
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine (CID 62543117) is 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine is CCC(CC)C(NCCOC)c1nccs1.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is KCBLSNPMGOYYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-10(5-2)11(13-6-8-15-3)12-14-7-9-16-12/h7,9-11,13H,4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine?
2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 62543117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).