N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H19N3S — CID 62753421

IUPACN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CC3CCC2C3)s1
InChIInChI=1S/C12H19N3S/c1-2-13-6-11-7-14-12(16-11)15-8-9-3-4-10(15)5-9/h7,9-10,13H,2-6,8H2,1H3
InChIKeyCXZWBWNZIDZJNB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.24
Rot. Bonds4

About N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62753421) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62753421
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CC3CCC2C3)s1
InChIInChI=1S/C12H19N3S/c1-2-13-6-11-7-14-12(16-11)15-8-9-3-4-10(15)5-9/h7,9-10,13H,2-6,8H2,1H3
InChIKeyCXZWBWNZIDZJNB-UHFFFAOYSA-N
XLogP2.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62753421) is N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(N2CC3CCC2C3)s1.
What is the InChIKey of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is CXZWBWNZIDZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-13-6-11-7-14-12(16-11)15-8-9-3-4-10(15)5-9/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62753421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).