3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one

C14H13NOS2 — CID 139219612

IUPAC3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccsc2)N1Cc1ccccc1
InChIInChI=1S/C14H13NOS2/c16-13-10-18-14(12-6-7-17-9-12)15(13)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2
InChIKeyJCLJOZCIJVLRNL-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.52
Rot. Bonds3

About 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one

3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one (PubChem CID 139219612) has the molecular formula C14H13NOS2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one
PubChem CID139219612
Molecular FormulaC14H13NOS2
Molecular Weight275.40 g/mol
Exact Mass275.04
IUPAC Name3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccsc2)N1Cc1ccccc1
InChIInChI=1S/C14H13NOS2/c16-13-10-18-14(12-6-7-17-9-12)15(13)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2
InChIKeyJCLJOZCIJVLRNL-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one (CID 139219612) is 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one is O=C1CSC(c2ccsc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The InChIKey is JCLJOZCIJVLRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS2/c16-13-10-18-14(12-6-7-17-9-12)15(13)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10H2.
What are the key properties of 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one?
3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-thiophen-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 139219612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).