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

C16H16N2O2S — CID 3520509

IUPAC2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1SCC(=O)N1Cc1ccncc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-5-3-2-4-13(14)16-18(15(19)11-21-16)10-12-6-8-17-9-7-12/h2-9,16H,10-11H2,1H3
InChIKeyHANAGKABUVEJHA-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.86
Rot. Bonds4

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

2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3520509) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3520509
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1SCC(=O)N1Cc1ccncc1
InChIInChI=1S/C16H16N2O2S/c1-20-14-5-3-2-4-13(14)16-18(15(19)11-21-16)10-12-6-8-17-9-7-12/h2-9,16H,10-11H2,1H3
InChIKeyHANAGKABUVEJHA-UHFFFAOYSA-N
XLogP2.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one (CID 3520509) is 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one is COc1ccccc1C1SCC(=O)N1Cc1ccncc1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is HANAGKABUVEJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-14-5-3-2-4-13(14)16-18(15(19)11-21-16)10-12-6-8-17-9-7-12/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one?
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3520509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).