3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one

C15H15NO3S2 — CID 4054923

IUPAC3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cccs2)c(OC)c1
InChIInChI=1S/C15H15NO3S2/c1-18-10-5-6-11(12(8-10)19-2)16-14(17)9-21-15(16)13-4-3-7-20-13/h3-8,15H,9H2,1-2H3
InChIKeyZTAPCUYRMSRJPW-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.54
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 4054923) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID4054923
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Name3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2cccs2)c(OC)c1
InChIInChI=1S/C15H15NO3S2/c1-18-10-5-6-11(12(8-10)19-2)16-14(17)9-21-15(16)13-4-3-7-20-13/h3-8,15H,9H2,1-2H3
InChIKeyZTAPCUYRMSRJPW-UHFFFAOYSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 4054923) is 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2cccs2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is ZTAPCUYRMSRJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-18-10-5-6-11(12(8-10)19-2)16-14(17)9-21-15(16)13-4-3-7-20-13/h3-8,15H,9H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4054923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).