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

C11H11FN2OS — CID 82621536

IUPAC3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine
SMILESFc1cccc2sc(C3COCCN3)nc12
InChIInChI=1S/C11H11FN2OS/c12-7-2-1-3-9-10(7)14-11(16-9)8-6-15-5-4-13-8/h1-3,8,13H,4-6H2
InChIKeyOXWRICIWFAEAKM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.10
Rot. Bonds1

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

3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine (PubChem CID 82621536) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine
PubChem CID82621536
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine
SMILESFc1cccc2sc(C3COCCN3)nc12
InChIInChI=1S/C11H11FN2OS/c12-7-2-1-3-9-10(7)14-11(16-9)8-6-15-5-4-13-8/h1-3,8,13H,4-6H2
InChIKeyOXWRICIWFAEAKM-UHFFFAOYSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1,3-benzothiazol-2-yl)morpholine
CID 96788923
3-(7-fluoro-1-benzothiophen-2-yl)morpholine
CID 82621222
3-(6-fluoro-2-pyridinyl)morpholine
CID 55282502
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine
CID 130648555
(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
CID 171193150
3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine
CID 102748349
3-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 83439832
3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)morpholine
CID 105477196
3-fluoro-2-morpholin-3-ylbenzoic acid
CID 154430314
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
3-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)morpholine
CID 102748312

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine (CID 82621536) is 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine is Fc1cccc2sc(C3COCCN3)nc12.
What is the InChIKey of 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine?
The InChIKey is OXWRICIWFAEAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-7-2-1-3-9-10(7)14-11(16-9)8-6-15-5-4-13-8/h1-3,8,13H,4-6H2.
What are the key properties of 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine?
3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine has a molecular weight of 238.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 82621536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).