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

C16H29N3OS — CID 102746189

IUPAC2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(N2CC(C)(C)OC(C)(C)C2)s1
InChIInChI=1S/C16H29N3OS/c1-12(2)7-17-8-13-9-18-14(21-13)19-10-15(3,4)20-16(5,6)11-19/h9,12,17H,7-8,10-11H2,1-6H3
InChIKeyBCWMGEMJRXTPEM-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.28
Rot. Bonds5

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

2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 102746189) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID102746189
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(N2CC(C)(C)OC(C)(C)C2)s1
InChIInChI=1S/C16H29N3OS/c1-12(2)7-17-8-13-9-18-14(21-13)19-10-15(3,4)20-16(5,6)11-19/h9,12,17H,7-8,10-11H2,1-6H3
InChIKeyBCWMGEMJRXTPEM-UHFFFAOYSA-N
XLogP3.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 102746189) is 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1cnc(N2CC(C)(C)OC(C)(C)C2)s1.
What is the InChIKey of 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is BCWMGEMJRXTPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-12(2)7-17-8-13-9-18-14(21-13)19-10-15(3,4)20-16(5,6)11-19/h9,12,17H,7-8,10-11H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 102746189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).