2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one

C20H13ClF2N2O2S — CID 134123447

IUPAC2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2Oc2cccc(Cl)c2)N1c1ccc(F)cc1F
InChIInChI=1S/C20H13ClF2N2O2S/c21-12-3-1-4-14(9-12)27-19-15(5-2-8-24-19)20-25(18(26)11-28-20)17-7-6-13(22)10-16(17)23/h1-10,20H,11H2
InChIKeyWIJXKTZYKJYGLT-UHFFFAOYSA-N
MW418.85 g/mol
LogP5.58
Rot. Bonds4

About 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one

2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 134123447) has the molecular formula C20H13ClF2N2O2S and a molecular weight of 418.85 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
PubChem CID134123447
Molecular FormulaC20H13ClF2N2O2S
Molecular Weight418.85 g/mol
Exact Mass418.04
IUPAC Name2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccnc2Oc2cccc(Cl)c2)N1c1ccc(F)cc1F
InChIInChI=1S/C20H13ClF2N2O2S/c21-12-3-1-4-14(9-12)27-19-15(5-2-8-24-19)20-25(18(26)11-28-20)17-7-6-13(22)10-16(17)23/h1-10,20H,11H2
InChIKeyWIJXKTZYKJYGLT-UHFFFAOYSA-N
XLogP5.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.85
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one (CID 134123447) is 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccnc2Oc2cccc(Cl)c2)N1c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is WIJXKTZYKJYGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N2O2S/c21-12-3-1-4-14(9-12)27-19-15(5-2-8-24-19)20-25(18(26)11-28-20)17-7-6-13(22)10-16(17)23/h1-10,20H,11H2.
What are the key properties of 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one?
2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 418.85 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)-3-pyridinyl]-3-(2,4-difluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 134123447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).