N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C15H27N3OS — CID 64545588

IUPACN-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C15H27N3OS/c1-6-7-16-12(3)13-9-20-14(17-13)18-8-11(2)19-15(4,5)10-18/h9,11-12,16H,6-8,10H2,1-5H3
InChIKeyUHMUPQZAYMVJLJ-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.21
Rot. Bonds5

About N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64545588) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64545588
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C15H27N3OS/c1-6-7-16-12(3)13-9-20-14(17-13)18-8-11(2)19-15(4,5)10-18/h9,11-12,16H,6-8,10H2,1-5H3
InChIKeyUHMUPQZAYMVJLJ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64545588) is N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(N2CC(C)OC(C)(C)C2)n1.
What is the InChIKey of N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is UHMUPQZAYMVJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-6-7-16-12(3)13-9-20-14(17-13)18-8-11(2)19-15(4,5)10-18/h9,11-12,16H,6-8,10H2,1-5H3.
What are the key properties of N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64545588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).