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

C15H15NO2S2 — CID 4657694

IUPAC3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccs2)N1CCOc1ccccc1
InChIInChI=1S/C15H15NO2S2/c17-14-11-20-15(13-7-4-10-19-13)16(14)8-9-18-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2
InChIKeyCPFBMLZZCUNEJV-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.40
Rot. Bonds5

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

3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 4657694) has the molecular formula C15H15NO2S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID4657694
Molecular FormulaC15H15NO2S2
Molecular Weight305.42 g/mol
Exact Mass305.05
IUPAC Name3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccs2)N1CCOc1ccccc1
InChIInChI=1S/C15H15NO2S2/c17-14-11-20-15(13-7-4-10-19-13)16(14)8-9-18-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2
InChIKeyCPFBMLZZCUNEJV-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 4657694) is 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is O=C1CSC(c2cccs2)N1CCOc1ccccc1.
What is the InChIKey of 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is CPFBMLZZCUNEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S2/c17-14-11-20-15(13-7-4-10-19-13)16(14)8-9-18-12-5-2-1-3-6-12/h1-7,10,15H,8-9,11H2.
What are the key properties of 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 305.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4657694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).