4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine

C19H20N2O3S — CID 24901583

IUPAC4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine
SMILESc1ccc2sc(Oc3ccc(OCCN4CCOCC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O3S/c1-2-4-18-17(3-1)20-19(25-18)24-16-7-5-15(6-8-16)23-14-11-21-9-12-22-13-10-21/h1-8H,9-14H2
InChIKeyXHNDRMFJEUDOIJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.80
Rot. Bonds6

About 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine

4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine (PubChem CID 24901583) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine
PubChem CID24901583
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine
SMILESc1ccc2sc(Oc3ccc(OCCN4CCOCC4)cc3)nc2c1
InChIInChI=1S/C19H20N2O3S/c1-2-4-18-17(3-1)20-19(25-18)24-16-7-5-15(6-8-16)23-14-11-21-9-12-22-13-10-21/h1-8H,9-14H2
InChIKeyXHNDRMFJEUDOIJ-UHFFFAOYSA-N
XLogP3.80
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine (CID 24901583) is 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine is c1ccc2sc(Oc3ccc(OCCN4CCOCC4)cc3)nc2c1.
What is the InChIKey of 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine?
The InChIKey is XHNDRMFJEUDOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-4-18-17(3-1)20-19(25-18)24-16-7-5-15(6-8-16)23-14-11-21-9-12-22-13-10-21/h1-8H,9-14H2.
What are the key properties of 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine?
4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine has a molecular weight of 356.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]morpholine is sourced from PubChem (CID 24901583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).