2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one

C17H18N2O2S — CID 3871494

IUPAC2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2CCc2cccnc2)c1
InChIInChI=1S/C17H18N2O2S/c1-21-15-6-2-5-14(10-15)17-19(16(20)12-22-17)9-7-13-4-3-8-18-11-13/h2-6,8,10-11,17H,7,9,12H2,1H3
InChIKeyBTKDDKFWWJFWPI-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.91
Rot. Bonds5

About 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one

2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 3871494) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
PubChem CID3871494
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SCC(=O)N2CCc2cccnc2)c1
InChIInChI=1S/C17H18N2O2S/c1-21-15-6-2-5-14(10-15)17-19(16(20)12-22-17)9-7-13-4-3-8-18-11-13/h2-6,8,10-11,17H,7,9,12H2,1H3
InChIKeyBTKDDKFWWJFWPI-UHFFFAOYSA-N
XLogP2.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3789673
2-(2,3-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3857422
methyl 4-[4-oxo-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3712596
2-(3-bromo-4-fluorophenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 10339790
2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3477965
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
2-(1,3-benzodioxol-4-yl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3730559

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one (CID 3871494) is 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one is COc1cccc(C2SCC(=O)N2CCc2cccnc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is BTKDDKFWWJFWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-15-6-2-5-14(10-15)17-19(16(20)12-22-17)9-7-13-4-3-8-18-11-13/h2-6,8,10-11,17H,7,9,12H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 314.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3871494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).