1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine

C11H20N2O2S — CID 115891943

IUPAC1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCOCCOCC(C)NC(C)c1nccs1
InChIInChI=1S/C11H20N2O2S/c1-9(8-15-6-5-14-3)13-10(2)11-12-4-7-16-11/h4,7,9-10,13H,5-6,8H2,1-3H3
InChIKeyVQRRJGMJDXRLKR-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.85
Rot. Bonds8

About 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine

1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 115891943) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID115891943
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCOCCOCC(C)NC(C)c1nccs1
InChIInChI=1S/C11H20N2O2S/c1-9(8-15-6-5-14-3)13-10(2)11-12-4-7-16-11/h4,7,9-10,13H,5-6,8H2,1-3H3
InChIKeyVQRRJGMJDXRLKR-UHFFFAOYSA-N
XLogP1.85
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.85
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

(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
CID 64993357
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
1-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115901761
1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585087

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 115891943) is 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine is COCCOCC(C)NC(C)c1nccs1.
What is the InChIKey of 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is VQRRJGMJDXRLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-9(8-15-6-5-14-3)13-10(2)11-12-4-7-16-11/h4,7,9-10,13H,5-6,8H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 244.36 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115891943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).