N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H21N3OS — CID 62751920

IUPACN-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CC(C)OC(C)C2)s1
InChIInChI=1S/C12H21N3OS/c1-4-13-5-11-6-14-12(17-11)15-7-9(2)16-10(3)8-15/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyQJIJYTIITARUTI-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.87
Rot. Bonds4

About N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62751920) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62751920
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CC(C)OC(C)C2)s1
InChIInChI=1S/C12H21N3OS/c1-4-13-5-11-6-14-12(17-11)15-7-9(2)16-10(3)8-15/h6,9-10,13H,4-5,7-8H2,1-3H3
InChIKeyQJIJYTIITARUTI-UHFFFAOYSA-N
XLogP1.87
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62751920) is N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(N2CC(C)OC(C)C2)s1.
What is the InChIKey of N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is QJIJYTIITARUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-13-5-11-6-14-12(17-11)15-7-9(2)16-10(3)8-15/h6,9-10,13H,4-5,7-8H2,1-3H3.
What are the key properties of N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 255.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62751920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).