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

C15H10ClF2NOS — CID 3370393

IUPAC3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C15H10ClF2NOS/c16-10-2-1-3-11(7-10)19-14(20)8-21-15(19)9-4-5-12(17)13(18)6-9/h1-7,15H,8H2
InChIKeyVFDREKUEPZNXFL-UHFFFAOYSA-N
MW325.77 g/mol
LogP4.40
Rot. Bonds2

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

3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 3370393) has the molecular formula C15H10ClF2NOS and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
PubChem CID3370393
Molecular FormulaC15H10ClF2NOS
Molecular Weight325.77 g/mol
Exact Mass325.01
IUPAC Name3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(F)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C15H10ClF2NOS/c16-10-2-1-3-11(7-10)19-14(20)8-21-15(19)9-4-5-12(17)13(18)6-9/h1-7,15H,8H2
InChIKeyVFDREKUEPZNXFL-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one (CID 3370393) is 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)c(F)c2)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is VFDREKUEPZNXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NOS/c16-10-2-1-3-11(7-10)19-14(20)8-21-15(19)9-4-5-12(17)13(18)6-9/h1-7,15H,8H2.
What are the key properties of 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one?
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 325.77 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3370393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).