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

C9H8FNOS — CID 3779101

IUPAC2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1
InChIInChI=1S/C9H8FNOS/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)
InChIKeyNPCQHRHGZNWSQC-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.69
Rot. Bonds1

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

2-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 3779101) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID3779101
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1
InChIInChI=1S/C9H8FNOS/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)
InChIKeyNPCQHRHGZNWSQC-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 3779101) is 2-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)cc2)N1.
What is the InChIKey of 2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is NPCQHRHGZNWSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c10-7-3-1-6(2-4-7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12).
What are the key properties of 2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 197.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3779101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).