4-(5-bromo-1,3-benzothiazol-2-yl)morpholine

C11H11BrN2OS — CID 89463432

IUPAC4-(5-bromo-1,3-benzothiazol-2-yl)morpholine
SMILESBrc1ccc2sc(N3CCOCC3)nc2c1
InChIInChI=1S/C11H11BrN2OS/c12-8-1-2-10-9(7-8)13-11(16-10)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyPIFMSWSAHCSODQ-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.90
Rot. Bonds1

About 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine

4-(5-bromo-1,3-benzothiazol-2-yl)morpholine (PubChem CID 89463432) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-1,3-benzothiazol-2-yl)morpholine
PubChem CID89463432
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name4-(5-bromo-1,3-benzothiazol-2-yl)morpholine
SMILESBrc1ccc2sc(N3CCOCC3)nc2c1
InChIInChI=1S/C11H11BrN2OS/c12-8-1-2-10-9(7-8)13-11(16-10)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyPIFMSWSAHCSODQ-UHFFFAOYSA-N
XLogP2.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine (CID 89463432) is 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine is Brc1ccc2sc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is PIFMSWSAHCSODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-8-1-2-10-9(7-8)13-11(16-10)14-3-5-15-6-4-14/h1-2,7H,3-6H2.
What are the key properties of 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine?
4-(5-bromo-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 299.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 89463432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).