2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C13H19N3OS — CID 66371042

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(N3CC4CCC(C3)O4)sc21
InChIInChI=1S/C13H19N3OS/c14-10-2-1-3-11-12(10)18-13(15-11)16-6-8-4-5-9(7-16)17-8/h8-10H,1-7,14H2
InChIKeyCSZQKMWAORRISI-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds1

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 66371042) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID66371042
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(N3CC4CCC(C3)O4)sc21
InChIInChI=1S/C13H19N3OS/c14-10-2-1-3-11-12(10)18-13(15-11)16-6-8-4-5-9(7-16)17-8/h8-10H,1-7,14H2
InChIKeyCSZQKMWAORRISI-UHFFFAOYSA-N
XLogP1.85
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 66371042) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(N3CC4CCC(C3)O4)sc21.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is CSZQKMWAORRISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c14-10-2-1-3-11-12(10)18-13(15-11)16-6-8-4-5-9(7-16)17-8/h8-10H,1-7,14H2.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 66371042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).