1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine

C11H19N3OS — CID 95758642

IUPAC1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCCN1CCO[C@@H](CNCc2cscn2)C1
InChIInChI=1S/C11H19N3OS/c1-2-14-3-4-15-11(7-14)6-12-5-10-8-16-9-13-10/h8-9,11-12H,2-7H2,1H3/t11-/m0/s1
InChIKeyALWJRZCNHKQYMD-NSHDSACASA-N
MW241.36 g/mol
LogP0.95
Rot. Bonds5

About 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 95758642) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID95758642
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCCN1CCO[C@@H](CNCc2cscn2)C1
InChIInChI=1S/C11H19N3OS/c1-2-14-3-4-15-11(7-14)6-12-5-10-8-16-9-13-10/h8-9,11-12H,2-7H2,1H3/t11-/m0/s1
InChIKeyALWJRZCNHKQYMD-NSHDSACASA-N
XLogP0.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 95758642) is 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine is CCN1CCO[C@@H](CNCc2cscn2)C1.
What is the InChIKey of 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is ALWJRZCNHKQYMD-NSHDSACASA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-14-3-4-15-11(7-14)6-12-5-10-8-16-9-13-10/h8-9,11-12H,2-7H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 241.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-ethylmorpholin-2-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 95758642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).