8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C14H19N3OS — CID 123638676

IUPAC8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESc1cc2c(cc1N1CCN3CCOCC3C1)SNC2
InChIInChI=1S/C14H19N3OS/c1-2-12(7-14-11(1)8-15-19-14)17-4-3-16-5-6-18-10-13(16)9-17/h1-2,7,13,15H,3-6,8-10H2
InChIKeyGNURVLFVDYKTNL-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.32
Rot. Bonds1

About 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 123638676) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID123638676
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESc1cc2c(cc1N1CCN3CCOCC3C1)SNC2
InChIInChI=1S/C14H19N3OS/c1-2-12(7-14-11(1)8-15-19-14)17-4-3-16-5-6-18-10-13(16)9-17/h1-2,7,13,15H,3-6,8-10H2
InChIKeyGNURVLFVDYKTNL-UHFFFAOYSA-N
XLogP1.32
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 123638676) is 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is c1cc2c(cc1N1CCN3CCOCC3C1)SNC2.
What is the InChIKey of 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is GNURVLFVDYKTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-12(7-14-11(1)8-15-19-14)17-4-3-16-5-6-18-10-13(16)9-17/h1-2,7,13,15H,3-6,8-10H2.
What are the key properties of 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 277.39 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1,2-benzothiazol-6-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 123638676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).