N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine

C17H28N2OS — CID 79909200

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H28N2OS/c1-3-8-18-15(10-16-19-13(2)12-21-16)14-5-9-20-17(11-14)6-4-7-17/h12,14-15,18H,3-11H2,1-2H3
InChIKeyJFPNXTBLJPDAQX-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine (PubChem CID 79909200) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine
PubChem CID79909200
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H28N2OS/c1-3-8-18-15(10-16-19-13(2)12-21-16)14-5-9-20-17(11-14)6-4-7-17/h12,14-15,18H,3-11H2,1-2H3
InChIKeyJFPNXTBLJPDAQX-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]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

Related Compounds

N-[1-(3,4-dimethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 64739453
4-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylpentan-1-amine
CID 79915623
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 105019417
N-[1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63863284
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 114623006
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537
N-[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propoxyethyl]propan-1-amine
CID 79914384
1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911364
N-[(4-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79909990
N-[5-oxaspiro[3.5]nonan-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 79914070
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
CID 79914388
N-[(3-chlorothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016857

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine (CID 79909200) is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine?
The InChIKey is JFPNXTBLJPDAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-3-8-18-15(10-16-19-13(2)12-21-16)14-5-9-20-17(11-14)6-4-7-17/h12,14-15,18H,3-11H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine has a molecular weight of 308.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79909200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).