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

C15H11ClFNOS — CID 4232760

IUPAC2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1c1cccc(F)c1
InChIInChI=1S/C15H11ClFNOS/c16-11-6-4-10(5-7-11)15-18(14(19)9-20-15)13-3-1-2-12(17)8-13/h1-8,15H,9H2
InChIKeySAGOAUKMEVLELR-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.26
Rot. Bonds2

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

2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 4232760) has the molecular formula C15H11ClFNOS and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID4232760
Molecular FormulaC15H11ClFNOS
Molecular Weight307.78 g/mol
Exact Mass307.02
IUPAC Name2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1c1cccc(F)c1
InChIInChI=1S/C15H11ClFNOS/c16-11-6-4-10(5-7-11)15-18(14(19)9-20-15)13-3-1-2-12(17)8-13/h1-8,15H,9H2
InChIKeySAGOAUKMEVLELR-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one (CID 4232760) is 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1c1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is SAGOAUKMEVLELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNOS/c16-11-6-4-10(5-7-11)15-18(14(19)9-20-15)13-3-1-2-12(17)8-13/h1-8,15H,9H2.
What are the key properties of 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 307.78 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4232760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).