3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one

C14H9ClF2N2OS — CID 501032

IUPAC3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1ccc(Cl)cn1
InChIInChI=1S/C14H9ClF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
InChIKeyFSOIAWWUVHZTNG-UHFFFAOYSA-N
MW326.76 g/mol
LogP3.79
Rot. Bonds2

About 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one

3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 501032) has the molecular formula C14H9ClF2N2OS and a molecular weight of 326.76 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
PubChem CID501032
Molecular FormulaC14H9ClF2N2OS
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2F)N1c1ccc(Cl)cn1
InChIInChI=1S/C14H9ClF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2
InChIKeyFSOIAWWUVHZTNG-UHFFFAOYSA-N
XLogP3.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one (CID 501032) is 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2F)N1c1ccc(Cl)cn1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is FSOIAWWUVHZTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2OS/c15-8-4-5-11(18-6-8)19-12(20)7-21-14(19)13-9(16)2-1-3-10(13)17/h1-6,14H,7H2.
What are the key properties of 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one?
3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 326.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 501032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).