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

C12H21N3OS — CID 55111916

IUPACN-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(N2CCOCC2C)nc1C
InChIInChI=1S/C12H21N3OS/c1-8-7-16-6-5-15(8)12-14-10(3)11(17-12)9(2)13-4/h8-9,13H,5-7H2,1-4H3
InChIKeyUUIDJYKMRDWCSH-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.96
Rot. Bonds3

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

N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 55111916) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID55111916
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(N2CCOCC2C)nc1C
InChIInChI=1S/C12H21N3OS/c1-8-7-16-6-5-15(8)12-14-10(3)11(17-12)9(2)13-4/h8-9,13H,5-7H2,1-4H3
InChIKeyUUIDJYKMRDWCSH-UHFFFAOYSA-N
XLogP1.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 55111916) is N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(N2CCOCC2C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is UUIDJYKMRDWCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-7-16-6-5-15(8)12-14-10(3)11(17-12)9(2)13-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 255.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 55111916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).