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

C16H29N3OS — CID 107510796

IUPACN-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC(C)CC(C)C2C)nc1COC
InChIInChI=1S/C16H29N3OS/c1-6-17-8-15-14(10-20-5)18-16(21-15)19-9-11(2)7-12(3)13(19)4/h11-13,17H,6-10H2,1-5H3
InChIKeyDOVQNNGGTGMUGC-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.27
Rot. Bonds6

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

N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107510796) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107510796
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC(C)CC(C)C2C)nc1COC
InChIInChI=1S/C16H29N3OS/c1-6-17-8-15-14(10-20-5)18-16(21-15)19-9-11(2)7-12(3)13(19)4/h11-13,17H,6-10H2,1-5H3
InChIKeyDOVQNNGGTGMUGC-UHFFFAOYSA-N
XLogP3.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine 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 N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 107510796) is N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CC(C)CC(C)C2C)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is DOVQNNGGTGMUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-6-17-8-15-14(10-20-5)18-16(21-15)19-9-11(2)7-12(3)13(19)4/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 311.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107510796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).