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

C15H27N3OS — CID 102745994

IUPACN-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CC(C)(C)OC(C)(C)C2)cs1
InChIInChI=1S/C15H27N3OS/c1-6-16-7-13-17-12(9-20-13)8-18-10-14(2,3)19-15(4,5)11-18/h9,16H,6-8,10-11H2,1-5H3
InChIKeyCSFPQIGEVQIWTF-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.64
Rot. Bonds5

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

N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 102745994) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID102745994
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CC(C)(C)OC(C)(C)C2)cs1
InChIInChI=1S/C15H27N3OS/c1-6-16-7-13-17-12(9-20-13)8-18-10-14(2,3)19-15(4,5)11-18/h9,16H,6-8,10-11H2,1-5H3
InChIKeyCSFPQIGEVQIWTF-UHFFFAOYSA-N
XLogP2.64
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 102745994) is N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(CN2CC(C)(C)OC(C)(C)C2)cs1.
What is the InChIKey of N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is CSFPQIGEVQIWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-6-16-7-13-17-12(9-20-13)8-18-10-14(2,3)19-15(4,5)11-18/h9,16H,6-8,10-11H2,1-5H3.
What are the key properties of N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 297.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 102745994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).