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

C16H29N3OS — CID 102746236

IUPACN-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC(C)(C)OC(C)(C)C2)nc1CC
InChIInChI=1S/C16H29N3OS/c1-7-12-13(9-17-8-2)21-14(18-12)19-10-15(3,4)20-16(5,6)11-19/h17H,7-11H2,1-6H3
InChIKeySAYJNQTYHRNKGR-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.21
Rot. Bonds5

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

N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 102746236) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID102746236
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC(C)(C)OC(C)(C)C2)nc1CC
InChIInChI=1S/C16H29N3OS/c1-7-12-13(9-17-8-2)21-14(18-12)19-10-15(3,4)20-16(5,6)11-19/h17H,7-11H2,1-6H3
InChIKeySAYJNQTYHRNKGR-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 102746236) is N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CC(C)(C)OC(C)(C)C2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SAYJNQTYHRNKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-7-12-13(9-17-8-2)21-14(18-12)19-10-15(3,4)20-16(5,6)11-19/h17H,7-11H2,1-6H3.
What are the key properties of N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 311.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 102746236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).