5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C16H28ClN3OS — CID 120901051

IUPAC5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCOC1CC(N(C)Cc2cnc(N)s2)C12CCCCC2.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-3-20-14-9-13(16(14)7-5-4-6-8-16)19(2)11-12-10-18-15(17)21-12;/h10,13-14H,3-9,11H2,1-2H3,(H2,17,18);1H
InChIKeyLNXSSQWFSSCUCW-UHFFFAOYSA-N
MW345.94 g/mol
LogP3.71
Rot. Bonds5

About 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901051) has the molecular formula C16H28ClN3OS and a molecular weight of 345.94 g/mol. Its IUPAC name is 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901051
Molecular FormulaC16H28ClN3OS
Molecular Weight345.94 g/mol
Exact Mass345.16
IUPAC Name5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCOC1CC(N(C)Cc2cnc(N)s2)C12CCCCC2.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-3-20-14-9-13(16(14)7-5-4-6-8-16)19(2)11-12-10-18-15(17)21-12;/h10,13-14H,3-9,11H2,1-2H3,(H2,17,18);1H
InChIKeyLNXSSQWFSSCUCW-UHFFFAOYSA-N
XLogP3.71
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride 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 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901051) is 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CCOC1CC(N(C)Cc2cnc(N)s2)C12CCCCC2.Cl.
What is the InChIKey of 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is LNXSSQWFSSCUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.ClH/c1-3-20-14-9-13(16(14)7-5-4-6-8-16)19(2)11-12-10-18-15(17)21-12;/h10,13-14H,3-9,11H2,1-2H3,(H2,17,18);1H.
What are the key properties of 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 345.94 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).