4-(1,3-benzothiazol-4-yl)morpholine

C11H12N2OS — CID 18780784

IUPAC4-(1,3-benzothiazol-4-yl)morpholine
SMILESc1cc(N2CCOCC2)c2ncsc2c1
InChIInChI=1S/C11H12N2OS/c1-2-9(13-4-6-14-7-5-13)11-10(3-1)15-8-12-11/h1-3,8H,4-7H2
InChIKeyMCFKIYFVRPCKBA-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.13
Rot. Bonds1

About 4-(1,3-benzothiazol-4-yl)morpholine

4-(1,3-benzothiazol-4-yl)morpholine (PubChem CID 18780784) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-4-yl)morpholine
PubChem CID18780784
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-(1,3-benzothiazol-4-yl)morpholine
SMILESc1cc(N2CCOCC2)c2ncsc2c1
InChIInChI=1S/C11H12N2OS/c1-2-9(13-4-6-14-7-5-13)11-10(3-1)15-8-12-11/h1-3,8H,4-7H2
InChIKeyMCFKIYFVRPCKBA-UHFFFAOYSA-N
XLogP2.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-4-yl)morpholine?
The IUPAC name of 4-(1,3-benzothiazol-4-yl)morpholine (CID 18780784) is 4-(1,3-benzothiazol-4-yl)morpholine.
What is the SMILES notation for 4-(1,3-benzothiazol-4-yl)morpholine?
The canonical SMILES for 4-(1,3-benzothiazol-4-yl)morpholine is c1cc(N2CCOCC2)c2ncsc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-4-yl)morpholine?
The InChIKey is MCFKIYFVRPCKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-9(13-4-6-14-7-5-13)11-10(3-1)15-8-12-11/h1-3,8H,4-7H2.
What are the key properties of 4-(1,3-benzothiazol-4-yl)morpholine?
4-(1,3-benzothiazol-4-yl)morpholine has a molecular weight of 220.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-4-yl)morpholine is sourced from PubChem (CID 18780784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).