3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C10H11NO2S — CID 1478351

IUPAC3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2CSCC2=O)cc1
InChIInChI=1S/C10H11NO2S/c1-13-9-4-2-8(3-5-9)11-7-14-6-10(11)12/h2-5H,6-7H2,1H3
InChIKeyYYEZZYULWDLVFZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.73
Rot. Bonds2

About 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1478351) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1478351
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2CSCC2=O)cc1
InChIInChI=1S/C10H11NO2S/c1-13-9-4-2-8(3-5-9)11-7-14-6-10(11)12/h2-5H,6-7H2,1H3
InChIKeyYYEZZYULWDLVFZ-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 1478351) is 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2CSCC2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is YYEZZYULWDLVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-13-9-4-2-8(3-5-9)11-7-14-6-10(11)12/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 209.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1478351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).