4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine

C17H15ClN2O2S — CID 2799516

IUPAC4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine
SMILESClc1ccc2sc(Oc3cccc(N4CCOCC4)c3)nc2c1
InChIInChI=1S/C17H15ClN2O2S/c18-12-4-5-16-15(10-12)19-17(23-16)22-14-3-1-2-13(11-14)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2
InChIKeyPVEDGSFGFGWVFQ-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.58
Rot. Bonds3

About 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine

4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine (PubChem CID 2799516) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine.

Molecular Properties

Compound Name4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine
PubChem CID2799516
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine
SMILESClc1ccc2sc(Oc3cccc(N4CCOCC4)c3)nc2c1
InChIInChI=1S/C17H15ClN2O2S/c18-12-4-5-16-15(10-12)19-17(23-16)22-14-3-1-2-13(11-14)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2
InChIKeyPVEDGSFGFGWVFQ-UHFFFAOYSA-N
XLogP4.58
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine?
The IUPAC name of 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine (CID 2799516) is 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine.
What is the SMILES notation for 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine?
The canonical SMILES for 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine is Clc1ccc2sc(Oc3cccc(N4CCOCC4)c3)nc2c1.
What is the InChIKey of 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine?
The InChIKey is PVEDGSFGFGWVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-12-4-5-16-15(10-12)19-17(23-16)22-14-3-1-2-13(11-14)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2.
What are the key properties of 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine?
4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine has a molecular weight of 346.84 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]morpholine is sourced from PubChem (CID 2799516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).