2-benzyl-1,2-thiazolidin-4-one

C10H11NOS — CID 134182902

IUPAC2-benzyl-1,2-thiazolidin-4-one
SMILESO=C1CSN(Cc2ccccc2)C1
InChIInChI=1S/C10H11NOS/c12-10-7-11(13-8-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyMIBONBBZARPLNY-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.72
Rot. Bonds2

About 2-benzyl-1,2-thiazolidin-4-one

2-benzyl-1,2-thiazolidin-4-one (PubChem CID 134182902) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-benzyl-1,2-thiazolidin-4-one.

Molecular Properties

Compound Name2-benzyl-1,2-thiazolidin-4-one
PubChem CID134182902
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-benzyl-1,2-thiazolidin-4-one
SMILESO=C1CSN(Cc2ccccc2)C1
InChIInChI=1S/C10H11NOS/c12-10-7-11(13-8-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyMIBONBBZARPLNY-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2-thiazolidin-4-one?
The IUPAC name of 2-benzyl-1,2-thiazolidin-4-one (CID 134182902) is 2-benzyl-1,2-thiazolidin-4-one.
What is the SMILES notation for 2-benzyl-1,2-thiazolidin-4-one?
The canonical SMILES for 2-benzyl-1,2-thiazolidin-4-one is O=C1CSN(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-1,2-thiazolidin-4-one?
The InChIKey is MIBONBBZARPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-10-7-11(13-8-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-benzyl-1,2-thiazolidin-4-one?
2-benzyl-1,2-thiazolidin-4-one has a molecular weight of 193.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2-thiazolidin-4-one is sourced from PubChem (CID 134182902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).