3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine

C12H22N2O2S — CID 43670248

IUPAC3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCOCCOCCCNC(C)c1csc(C)n1
InChIInChI=1S/C12H22N2O2S/c1-10(12-9-17-11(2)14-12)13-5-4-6-16-8-7-15-3/h9-10,13H,4-8H2,1-3H3
InChIKeySWGPHTCCHYYTNO-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.16
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine

3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 43670248) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID43670248
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCOCCOCCCNC(C)c1csc(C)n1
InChIInChI=1S/C12H22N2O2S/c1-10(12-9-17-11(2)14-12)13-5-4-6-16-8-7-15-3/h9-10,13H,4-8H2,1-3H3
InChIKeySWGPHTCCHYYTNO-UHFFFAOYSA-N
XLogP2.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 43670248) is 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is COCCOCCCNC(C)c1csc(C)n1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is SWGPHTCCHYYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-10(12-9-17-11(2)14-12)13-5-4-6-16-8-7-15-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 258.39 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43670248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).