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

C10H11NO2S — CID 3158592

IUPAC2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2NC(=O)CS2)cc1
InChIInChI=1S/C10H11NO2S/c1-13-8-4-2-7(3-5-8)10-11-9(12)6-14-10/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyWRUXGMVAJPNHHU-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.56
Rot. Bonds2

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

2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3158592) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3158592
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2NC(=O)CS2)cc1
InChIInChI=1S/C10H11NO2S/c1-13-8-4-2-7(3-5-8)10-11-9(12)6-14-10/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyWRUXGMVAJPNHHU-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3158592) is 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2NC(=O)CS2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is WRUXGMVAJPNHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-13-8-4-2-7(3-5-8)10-11-9(12)6-14-10/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 209.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3158592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).