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

C14H25N3OS — CID 102746230

IUPACN-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(N2CC(C)(C)OC(C)(C)C2)nc1C
InChIInChI=1S/C14H25N3OS/c1-10-11(7-15-6)19-12(16-10)17-8-13(2,3)18-14(4,5)9-17/h15H,7-9H2,1-6H3
InChIKeyZIBSHNYFTUVBGB-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.56
Rot. Bonds3

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

N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 102746230) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID102746230
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(N2CC(C)(C)OC(C)(C)C2)nc1C
InChIInChI=1S/C14H25N3OS/c1-10-11(7-15-6)19-12(16-10)17-8-13(2,3)18-14(4,5)9-17/h15H,7-9H2,1-6H3
InChIKeyZIBSHNYFTUVBGB-UHFFFAOYSA-N
XLogP2.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.56
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-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine (CID 102746230) is N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(N2CC(C)(C)OC(C)(C)C2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ZIBSHNYFTUVBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10-11(7-15-6)19-12(16-10)17-8-13(2,3)18-14(4,5)9-17/h15H,7-9H2,1-6H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 2.56, 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-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 102746230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).