3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one

C15H14N2OS — CID 3719133

IUPAC3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccncc2)N1Cc1ccccc1
InChIInChI=1S/C15H14N2OS/c18-14-11-19-15(13-6-8-16-9-7-13)17(14)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyPHXCHDLAOWENBN-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.86
Rot. Bonds3

About 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one

3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one (PubChem CID 3719133) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one
PubChem CID3719133
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccncc2)N1Cc1ccccc1
InChIInChI=1S/C15H14N2OS/c18-14-11-19-15(13-6-8-16-9-7-13)17(14)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyPHXCHDLAOWENBN-UHFFFAOYSA-N
XLogP2.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-phenethyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
CID 2241090
3-(4-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731884
3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
N-Acetylnornicotine
CID 165384
3-[4-(Tert-butyl)phenyl]-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731891
3-(3,4-Dichlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2732022
3-(Cyclopropylmethyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2732306
3-(3-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3293548
4-(2-(Benzylthio)ethyl)pyridine
CID 210230
ST085749
CID 317081
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one (CID 3719133) is 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one is O=C1CSC(c2ccncc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The InChIKey is PHXCHDLAOWENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-14-11-19-15(13-6-8-16-9-7-13)17(14)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one?
3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one has a molecular weight of 270.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3719133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).