2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine

C11H20N2OS — CID 106815851

IUPAC2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1csc(CCOCC)n1
InChIInChI=1S/C11H20N2OS/c1-3-12-7-5-10-9-15-11(13-10)6-8-14-4-2/h9,12H,3-8H2,1-2H3
InChIKeyXIDFHQKHNSFOBK-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.87
Rot. Bonds8

About 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine

2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 106815851) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID106815851
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1csc(CCOCC)n1
InChIInChI=1S/C11H20N2OS/c1-3-12-7-5-10-9-15-11(13-10)6-8-14-4-2/h9,12H,3-8H2,1-2H3
InChIKeyXIDFHQKHNSFOBK-UHFFFAOYSA-N
XLogP1.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine
CID 106815881
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylpropan-1-amine
CID 106815876
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 103151266
2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558488
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 102929669
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115607889
N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 103151298
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 102929665
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 103151346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 106815851) is 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNCCc1csc(CCOCC)n1.
What is the InChIKey of 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is XIDFHQKHNSFOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-12-7-5-10-9-15-11(13-10)6-8-14-4-2/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 228.36 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 106815851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).