4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine

C11H11FN2OS — CID 7110129

IUPAC4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine
SMILESFc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C11H11FN2OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyHUXIZXQBQDYEBH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.27
Rot. Bonds1

About 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine

4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine (PubChem CID 7110129) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine
PubChem CID7110129
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine
SMILESFc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C11H11FN2OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2
InChIKeyHUXIZXQBQDYEBH-UHFFFAOYSA-N
XLogP2.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine (CID 7110129) is 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine is Fc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is HUXIZXQBQDYEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-8-1-2-9-10(7-8)16-11(13-9)14-3-5-15-6-4-14/h1-2,7H,3-6H2.
What are the key properties of 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine?
4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 238.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 7110129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).