2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile

C14H12FN3OS — CID 125129782

IUPAC2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCO[C@H](c2nccs2)C1
InChIInChI=1S/C14H12FN3OS/c15-11-2-1-3-12(10(11)8-16)18-5-6-19-13(9-18)14-17-4-7-20-14/h1-4,7,13H,5-6,9H2/t13-/m0/s1
InChIKeyBYCYUERQRAWYPL-ZDUSSCGKSA-N
MW289.34 g/mol
LogP2.73
Rot. Bonds2

About 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile

2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile (PubChem CID 125129782) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
PubChem CID125129782
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
SMILESN#Cc1c(F)cccc1N1CCO[C@H](c2nccs2)C1
InChIInChI=1S/C14H12FN3OS/c15-11-2-1-3-12(10(11)8-16)18-5-6-19-13(9-18)14-17-4-7-20-14/h1-4,7,13H,5-6,9H2/t13-/m0/s1
InChIKeyBYCYUERQRAWYPL-ZDUSSCGKSA-N
XLogP2.73
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile (CID 125129782) is 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile is N#Cc1c(F)cccc1N1CCO[C@H](c2nccs2)C1.
What is the InChIKey of 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile?
The InChIKey is BYCYUERQRAWYPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-11-2-1-3-12(10(11)8-16)18-5-6-19-13(9-18)14-17-4-7-20-14/h1-4,7,13H,5-6,9H2/t13-/m0/s1.
What are the key properties of 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile?
2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile has a molecular weight of 289.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile is sourced from PubChem (CID 125129782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).