1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine

C13H23N3OS — CID 64542721

IUPAC1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(N2CC(C)OCC2C)n1
InChIInChI=1S/C13H23N3OS/c1-5-14-11(4)12-8-18-13(15-12)16-6-10(3)17-7-9(16)2/h8-11,14H,5-7H2,1-4H3
InChIKeyXWAIETUELAUEQJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.43
Rot. Bonds4

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

1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 64542721) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID64542721
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(N2CC(C)OCC2C)n1
InChIInChI=1S/C13H23N3OS/c1-5-14-11(4)12-8-18-13(15-12)16-6-10(3)17-7-9(16)2/h8-11,14H,5-7H2,1-4H3
InChIKeyXWAIETUELAUEQJ-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 64542721) is 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(N2CC(C)OCC2C)n1.
What is the InChIKey of 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is XWAIETUELAUEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-14-11(4)12-8-18-13(15-12)16-6-10(3)17-7-9(16)2/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 64542721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).