3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one

C8H12FNO2S — CID 134940214

IUPAC3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one
SMILESCCC[C@@H](F)C(=O)N1CCSC1=O
InChIInChI=1S/C8H12FNO2S/c1-2-3-6(9)7(11)10-4-5-13-8(10)12/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyAPIVXUDTXCQVRM-ZCFIWIBFSA-N
MW205.25 g/mol
LogP1.82
Rot. Bonds3

About 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one

3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one (PubChem CID 134940214) has the molecular formula C8H12FNO2S and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one
PubChem CID134940214
Molecular FormulaC8H12FNO2S
Molecular Weight205.25 g/mol
Exact Mass205.06
IUPAC Name3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one
SMILESCCC[C@@H](F)C(=O)N1CCSC1=O
InChIInChI=1S/C8H12FNO2S/c1-2-3-6(9)7(11)10-4-5-13-8(10)12/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyAPIVXUDTXCQVRM-ZCFIWIBFSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one (CID 134940214) is 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one is CCC[C@@H](F)C(=O)N1CCSC1=O.
What is the InChIKey of 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one?
The InChIKey is APIVXUDTXCQVRM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12FNO2S/c1-2-3-6(9)7(11)10-4-5-13-8(10)12/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one?
3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one has a molecular weight of 205.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-fluoropentanoyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 134940214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).