N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H23N3O2S — CID 107510553

IUPACN-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC3CCC(C2)O3)nc1COC
InChIInChI=1S/C14H23N3O2S/c1-3-15-6-13-12(9-18-2)16-14(20-13)17-7-10-4-5-11(8-17)19-10/h10-11,15H,3-9H2,1-2H3
InChIKeyNVHYZGRKJRULAA-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.77
Rot. Bonds6

About N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107510553) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107510553
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC3CCC(C2)O3)nc1COC
InChIInChI=1S/C14H23N3O2S/c1-3-15-6-13-12(9-18-2)16-14(20-13)17-7-10-4-5-11(8-17)19-10/h10-11,15H,3-9H2,1-2H3
InChIKeyNVHYZGRKJRULAA-UHFFFAOYSA-N
XLogP1.77
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 107510553) is N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CC3CCC(C2)O3)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is NVHYZGRKJRULAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-15-6-13-12(9-18-2)16-14(20-13)17-7-10-4-5-11(8-17)19-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 297.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107510553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).