2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

C16H21FN2O2S — CID 12050572

IUPAC2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(F)c2)N1CCCN1CCOCC1
InChIInChI=1S/C16H21FN2O2S/c17-14-4-1-3-13(11-14)16-19(15(20)12-22-16)6-2-5-18-7-9-21-10-8-18/h1,3-4,11,16H,2,5-10,12H2
InChIKeyMPWHZNUOWVWMGD-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.12
Rot. Bonds5

About 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 12050572) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID12050572
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC Name2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(F)c2)N1CCCN1CCOCC1
InChIInChI=1S/C16H21FN2O2S/c17-14-4-1-3-13(11-14)16-19(15(20)12-22-16)6-2-5-18-7-9-21-10-8-18/h1,3-4,11,16H,2,5-10,12H2
InChIKeyMPWHZNUOWVWMGD-UHFFFAOYSA-N
XLogP2.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
3-(2-morpholin-4-ylethyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049590
3-(2-morpholin-4-ylethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3682436
3-(4-pyrrolidin-1-ylbutyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 21103369
3-(2-morpholin-4-ylethyl)-2-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidin-4-one
CID 23818738
3-(3-morpholin-4-ylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazinan-4-one
CID 3724569
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748611
(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6936035
4-(3-fluorophenyl)-3-(4-methoxyphenyl)-5-(3-morpholin-4-ylpropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858929
(5S)-5-(3-fluorophenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 40835347
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (CID 12050572) is 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(F)c2)N1CCCN1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is MPWHZNUOWVWMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c17-14-4-1-3-13(11-14)16-19(15(20)12-22-16)6-2-5-18-7-9-21-10-8-18/h1,3-4,11,16H,2,5-10,12H2.
What are the key properties of 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 324.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 12050572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).