1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

C12H21N3OS — CID 62766516

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CC(C)OC(C)C2)nc1C
InChIInChI=1S/C12H21N3OS/c1-8-6-15(7-9(2)16-8)12-14-10(3)11(17-12)5-13-4/h8-9,13H,5-7H2,1-4H3
InChIKeyRLEZOVFALSTRER-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.78
Rot. Bonds3

About 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 62766516) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID62766516
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CC(C)OC(C)C2)nc1C
InChIInChI=1S/C12H21N3OS/c1-8-6-15(7-9(2)16-8)12-14-10(3)11(17-12)5-13-4/h8-9,13H,5-7H2,1-4H3
InChIKeyRLEZOVFALSTRER-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 62766516) is 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(N2CC(C)OC(C)C2)nc1C.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is RLEZOVFALSTRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-6-15(7-9(2)16-8)12-14-10(3)11(17-12)5-13-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 255.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62766516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).