N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine

C16H22N2OS — CID 79786315

IUPACN-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNCCc1sc(C(C)OC)nc1-c1ccccc1
InChIInChI=1S/C16H22N2OS/c1-4-17-11-10-14-15(13-8-6-5-7-9-13)18-16(20-14)12(2)19-3/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyZAKCOAIXNOYRGG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.67
Rot. Bonds7

About N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine

N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 79786315) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
PubChem CID79786315
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNCCc1sc(C(C)OC)nc1-c1ccccc1
InChIInChI=1S/C16H22N2OS/c1-4-17-11-10-14-15(13-8-6-5-7-9-13)18-16(20-14)12(2)19-3/h5-9,12,17H,4,10-11H2,1-3H3
InChIKeyZAKCOAIXNOYRGG-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.67
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-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine (CID 79786315) is N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine is CCNCCc1sc(C(C)OC)nc1-c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZAKCOAIXNOYRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-17-11-10-14-15(13-8-6-5-7-9-13)18-16(20-14)12(2)19-3/h5-9,12,17H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine?
N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(1-methoxyethyl)-4-phenyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79786315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).