N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine

C8H14N2OS — CID 46785153

IUPACN-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine
SMILESCOCCNC(C)c1nccs1
InChIInChI=1S/C8H14N2OS/c1-7(9-3-5-11-2)8-10-4-6-12-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyCAQJINGSFQVUOA-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.44
Rot. Bonds5

About N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine

N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 46785153) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID46785153
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine
SMILESCOCCNC(C)c1nccs1
InChIInChI=1S/C8H14N2OS/c1-7(9-3-5-11-2)8-10-4-6-12-8/h4,6-7,9H,3,5H2,1-2H3
InChIKeyCAQJINGSFQVUOA-UHFFFAOYSA-N
XLogP1.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine (CID 46785153) is N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine is COCCNC(C)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is CAQJINGSFQVUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7(9-3-5-11-2)8-10-4-6-12-8/h4,6-7,9H,3,5H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine?
N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 186.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 46785153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).