4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine

C20H18N2O3S — CID 59577582

IUPAC4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine
SMILESc1ccc2sc(Oc3ccc4c(CN5CCOCC5)coc4c3)nc2c1
InChIInChI=1S/C20H18N2O3S/c1-2-4-19-17(3-1)21-20(26-19)25-15-5-6-16-14(13-24-18(16)11-15)12-22-7-9-23-10-8-22/h1-6,11,13H,7-10,12H2
InChIKeyNHQCIXXCPKITFT-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.67
Rot. Bonds4

About 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine

4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine (PubChem CID 59577582) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine
PubChem CID59577582
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine
SMILESc1ccc2sc(Oc3ccc4c(CN5CCOCC5)coc4c3)nc2c1
InChIInChI=1S/C20H18N2O3S/c1-2-4-19-17(3-1)21-20(26-19)25-15-5-6-16-14(13-24-18(16)11-15)12-22-7-9-23-10-8-22/h1-6,11,13H,7-10,12H2
InChIKeyNHQCIXXCPKITFT-UHFFFAOYSA-N
XLogP4.67
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine?
The IUPAC name of 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine (CID 59577582) is 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine is c1ccc2sc(Oc3ccc4c(CN5CCOCC5)coc4c3)nc2c1.
What is the InChIKey of 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine?
The InChIKey is NHQCIXXCPKITFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-2-4-19-17(3-1)21-20(26-19)25-15-5-6-16-14(13-24-18(16)11-15)12-22-7-9-23-10-8-22/h1-6,11,13H,7-10,12H2.
What are the key properties of 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine?
4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine has a molecular weight of 366.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-3-yl]methyl]morpholine is sourced from PubChem (CID 59577582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).