2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine

C13H16N2O2S — CID 79512215

IUPAC2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
SMILESCOc1ccc2nc(CC3CNCCO3)sc2c1
InChIInChI=1S/C13H16N2O2S/c1-16-9-2-3-11-12(6-9)18-13(15-11)7-10-8-14-4-5-17-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyIDKQWPAVRUMRLL-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.84
Rot. Bonds3

About 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine

2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine (PubChem CID 79512215) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
PubChem CID79512215
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
SMILESCOc1ccc2nc(CC3CNCCO3)sc2c1
InChIInChI=1S/C13H16N2O2S/c1-16-9-2-3-11-12(6-9)18-13(15-11)7-10-8-14-4-5-17-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyIDKQWPAVRUMRLL-UHFFFAOYSA-N
XLogP1.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine?
The IUPAC name of 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine (CID 79512215) is 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine is COc1ccc2nc(CC3CNCCO3)sc2c1.
What is the InChIKey of 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine?
The InChIKey is IDKQWPAVRUMRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-16-9-2-3-11-12(6-9)18-13(15-11)7-10-8-14-4-5-17-10/h2-3,6,10,14H,4-5,7-8H2,1H3.
What are the key properties of 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine?
2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine has a molecular weight of 264.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 79512215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).