2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one

C14H11ClN2OS — CID 2731885

IUPAC2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1c1cccnc1
InChIInChI=1S/C14H11ClN2OS/c15-11-5-3-10(4-6-11)14-17(13(18)9-19-14)12-2-1-7-16-8-12/h1-8,14H,9H2
InChIKeyWKALALVBUPERKP-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.51
Rot. Bonds2

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

2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2731885) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2731885
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1c1cccnc1
InChIInChI=1S/C14H11ClN2OS/c15-11-5-3-10(4-6-11)14-17(13(18)9-19-14)12-2-1-7-16-8-12/h1-8,14H,9H2
InChIKeyWKALALVBUPERKP-UHFFFAOYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2731885) is 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1c1cccnc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is WKALALVBUPERKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-11-5-3-10(4-6-11)14-17(13(18)9-19-14)12-2-1-7-16-8-12/h1-8,14H,9H2.
What are the key properties of 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 290.78 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2731885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).