4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole

C15H18N2O6S2 — CID 122330921

IUPAC4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2cnoc2)cc1OC
InChIInChI=1S/C15H18N2O6S2/c1-20-12-7-14(22-3)13(21-2)6-11(12)15-17(4-5-24-15)25(18,19)10-8-16-23-9-10/h6-9,15H,4-5H2,1-3H3
InChIKeyGOJUJLHWDSUQOR-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.14
Rot. Bonds6

About 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole

4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole (PubChem CID 122330921) has the molecular formula C15H18N2O6S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
PubChem CID122330921
Molecular FormulaC15H18N2O6S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2cnoc2)cc1OC
InChIInChI=1S/C15H18N2O6S2/c1-20-12-7-14(22-3)13(21-2)6-11(12)15-17(4-5-24-15)25(18,19)10-8-16-23-9-10/h6-9,15H,4-5H2,1-3H3
InChIKeyGOJUJLHWDSUQOR-UHFFFAOYSA-N
XLogP2.14
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole?
The IUPAC name of 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole (CID 122330921) is 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole.
What is the SMILES notation for 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole?
The canonical SMILES for 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2cnoc2)cc1OC.
What is the InChIKey of 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole?
The InChIKey is GOJUJLHWDSUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S2/c1-20-12-7-14(22-3)13(21-2)6-11(12)15-17(4-5-24-15)25(18,19)10-8-16-23-9-10/h6-9,15H,4-5H2,1-3H3.
What are the key properties of 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole?
4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole has a molecular weight of 386.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole is sourced from PubChem (CID 122330921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).