N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine

C11H19N3OS — CID 62751448

IUPACN-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(N2CCOCC2C)s1
InChIInChI=1S/C11H19N3OS/c1-8-7-15-5-4-14(8)11-13-6-10(16-11)9(2)12-3/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyNYTJQDVVWOFASL-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62751448) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62751448
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(N2CCOCC2C)s1
InChIInChI=1S/C11H19N3OS/c1-8-7-15-5-4-14(8)11-13-6-10(16-11)9(2)12-3/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyNYTJQDVVWOFASL-UHFFFAOYSA-N
XLogP1.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 62751448) is N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(N2CCOCC2C)s1.
What is the InChIKey of N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is NYTJQDVVWOFASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-7-15-5-4-14(8)11-13-6-10(16-11)9(2)12-3/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62751448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).