(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one

C16H23N2O2S+ — CID 6936035

IUPAC(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1CCC[NH+]1CCOCC1
InChIInChI=1S/C16H22N2O2S/c19-15-13-21-16(14-5-2-1-3-6-14)18(15)8-4-7-17-9-11-20-12-10-17/h1-3,5-6,16H,4,7-13H2/p+1/t16-/m0/s1
InChIKeyLLGYPROGDVCAFX-INIZCTEOSA-O
MW307.44 g/mol
LogP0.57
Rot. Bonds5

About (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one

(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 6936035) has the molecular formula C16H23N2O2S+ and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID6936035
Molecular FormulaC16H23N2O2S+
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC Name(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@@H](c2ccccc2)N1CCC[NH+]1CCOCC1
InChIInChI=1S/C16H22N2O2S/c19-15-13-21-16(14-5-2-1-3-6-14)18(15)8-4-7-17-9-11-20-12-10-17/h1-3,5-6,16H,4,7-13H2/p+1/t16-/m0/s1
InChIKeyLLGYPROGDVCAFX-INIZCTEOSA-O
XLogP0.57
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
(2S)-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 6968997
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
2-(3-fluorophenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 12050572
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
CID 6988668
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556
2-(4-oxo-2-phenyl-(213C)1,3-thiazolidin-3-yl)acetamide
CID 10705033
(2R)-2-[4-(morpholine-4-carbonyl)phenyl]-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 1209526
(2S)-3-(2-piperidin-1-ium-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 6935354
(2R)-2-(3-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6937476

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one (CID 6936035) is (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@@H](c2ccccc2)N1CCC[NH+]1CCOCC1.
What is the InChIKey of (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is LLGYPROGDVCAFX-INIZCTEOSA-O. The full InChI is InChI=1S/C16H22N2O2S/c19-15-13-21-16(14-5-2-1-3-6-14)18(15)8-4-7-17-9-11-20-12-10-17/h1-3,5-6,16H,4,7-13H2/p+1/t16-/m0/s1.
What are the key properties of (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6936035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).