N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C15H27N3OS — CID 64544974

IUPACN-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CC(C)OCC2CC)n1
InChIInChI=1S/C15H27N3OS/c1-5-7-16-12(4)14-10-20-15(17-14)18-8-11(3)19-9-13(18)6-2/h10-13,16H,5-9H2,1-4H3
InChIKeyIGFMCYPRAXIHHG-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.21
Rot. Bonds6

About N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64544974) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64544974
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(N2CC(C)OCC2CC)n1
InChIInChI=1S/C15H27N3OS/c1-5-7-16-12(4)14-10-20-15(17-14)18-8-11(3)19-9-13(18)6-2/h10-13,16H,5-9H2,1-4H3
InChIKeyIGFMCYPRAXIHHG-UHFFFAOYSA-N
XLogP3.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64544974) is N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(N2CC(C)OCC2CC)n1.
What is the InChIKey of N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is IGFMCYPRAXIHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-7-16-12(4)14-10-20-15(17-14)18-8-11(3)19-9-13(18)6-2/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64544974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).