3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one

C19H20N2OS — CID 3116435

IUPAC3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one
SMILESCC(Cc1ccccc1)/N=C1\SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2OS/c1-15(12-16-8-4-2-5-9-16)20-19-21(18(22)14-23-19)13-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3/b20-19-
InChIKeyBREKZZSQNVIGML-VXPUYCOJSA-N
MW324.45 g/mol
LogP3.75
Rot. Bonds5

About 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one

3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 3116435) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID3116435
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one
SMILESCC(Cc1ccccc1)/N=C1\SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2OS/c1-15(12-16-8-4-2-5-9-16)20-19-21(18(22)14-23-19)13-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3/b20-19-
InChIKeyBREKZZSQNVIGML-VXPUYCOJSA-N
XLogP3.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
CID 2340303
5H-Thiazolo(3,2-a)pyrimidin-5-one, 2,3,6,7-tetrahydro-7-phenyl-
CID 3067452
3-Benzyl-2-ethylsulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3245315
N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135415543
2-Phenyl-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 2840183
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 3511427
N-benzyl-N-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3235658

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one (CID 3116435) is 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one is CC(Cc1ccccc1)/N=C1\SCC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is BREKZZSQNVIGML-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15(12-16-8-4-2-5-9-16)20-19-21(18(22)14-23-19)13-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3/b20-19-.
What are the key properties of 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one?
3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 324.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(1-phenylpropan-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3116435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).