4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one

C22H19NOS — CID 134908246

IUPAC4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one
SMILESO=C1SC(c2ccccc2)NC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NOS/c24-22-20(23-21(25-22)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-21,23H
InChIKeyMNLFXUCLEBHFPY-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.75
Rot. Bonds4

About 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one

4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one (PubChem CID 134908246) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one.

Molecular Properties

Compound Name4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one
PubChem CID134908246
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one
SMILESO=C1SC(c2ccccc2)NC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NOS/c24-22-20(23-21(25-22)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-21,23H
InChIKeyMNLFXUCLEBHFPY-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one?
The IUPAC name of 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one (CID 134908246) is 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one.
What is the SMILES notation for 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one?
The canonical SMILES for 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one is O=C1SC(c2ccccc2)NC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one?
The InChIKey is MNLFXUCLEBHFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NOS/c24-22-20(23-21(25-22)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-21,23H.
What are the key properties of 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one?
4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one has a molecular weight of 345.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-2-phenyl-1,3-thiazolidin-5-one is sourced from PubChem (CID 134908246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).