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

C11H19N3OS — CID 104961161

IUPAC1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C11H19N3OS/c1-7-5-14(6-8(2)15-7)11-13-4-10(16-11)9(3)12/h4,7-9H,5-6,12H2,1-3H3/t7-,8+,9?
InChIKeyKGEARISMDCVFBW-JVHMLUBASA-N
MW241.36 g/mol
LogP1.78
Rot. Bonds2

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

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 104961161) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine
PubChem CID104961161
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C11H19N3OS/c1-7-5-14(6-8(2)15-7)11-13-4-10(16-11)9(3)12/h4,7-9H,5-6,12H2,1-3H3/t7-,8+,9?
InChIKeyKGEARISMDCVFBW-JVHMLUBASA-N
XLogP1.78
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine (CID 104961161) is 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1.
What is the InChIKey of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KGEARISMDCVFBW-JVHMLUBASA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7-5-14(6-8(2)15-7)11-13-4-10(16-11)9(3)12/h4,7-9H,5-6,12H2,1-3H3/t7-,8+,9?.
What are the key properties of 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 104961161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).