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

C17H16N2OS — CID 4211080

IUPAC4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
SMILESc1ccc2sc(-c3ccc(N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C17H16N2OS/c1-2-4-16-15(3-1)18-17(21-16)13-5-7-14(8-6-13)19-9-11-20-12-10-19/h1-8H,9-12H2
InChIKeyUNGGLDZQUWFXEF-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.80
Rot. Bonds2

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

4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine (PubChem CID 4211080) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
PubChem CID4211080
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine
SMILESc1ccc2sc(-c3ccc(N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C17H16N2OS/c1-2-4-16-15(3-1)18-17(21-16)13-5-7-14(8-6-13)19-9-11-20-12-10-19/h1-8H,9-12H2
InChIKeyUNGGLDZQUWFXEF-UHFFFAOYSA-N
XLogP3.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine (CID 4211080) is 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine is c1ccc2sc(-c3ccc(N4CCOCC4)cc3)nc2c1.
What is the InChIKey of 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine?
The InChIKey is UNGGLDZQUWFXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-4-16-15(3-1)18-17(21-16)13-5-7-14(8-6-13)19-9-11-20-12-10-19/h1-8H,9-12H2.
What are the key properties of 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine?
4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine has a molecular weight of 296.39 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzothiazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 4211080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).