3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium

C14H20FN2OS+ — CID 7472084

IUPAC3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
SMILESC[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3/p+1/t14-/m0/s1
InChIKeyYJKWFOWTUKOVGQ-AWEZNQCLSA-O
MW283.39 g/mol
LogP0.93
Rot. Bonds5

About 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium

3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium (PubChem CID 7472084) has the molecular formula C14H20FN2OS+ and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
PubChem CID7472084
Molecular FormulaC14H20FN2OS+
Molecular Weight283.39 g/mol
Exact Mass283.13
IUPAC Name3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
SMILESC[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3/p+1/t14-/m0/s1
InChIKeyYJKWFOWTUKOVGQ-AWEZNQCLSA-O
XLogP0.93
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The IUPAC name of 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium (CID 7472084) is 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium.
What is the SMILES notation for 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The canonical SMILES for 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium is C[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc(F)cc1.
What is the InChIKey of 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The InChIKey is YJKWFOWTUKOVGQ-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H19FN2OS/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11/h4-7,14H,3,8-10H2,1-2H3/p+1/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium has a molecular weight of 283.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium is sourced from PubChem (CID 7472084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).