(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

C17H16N2OS — CID 135760231

IUPAC(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-7-9-14(10-8-12)18-17-19-16(20)15(21-17)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19,20)/t15-/m0/s1
InChIKeyRNPKDPVBHACDRW-HNNXBMFYSA-N
MW296.40 g/mol
LogP3.46
Rot. Bonds3

About (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135760231) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135760231
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-7-9-14(10-8-12)18-17-19-16(20)15(21-17)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19,20)/t15-/m0/s1
InChIKeyRNPKDPVBHACDRW-HNNXBMFYSA-N
XLogP3.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methylphenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135414145
2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135707347
(5R)-5-[(2,3-dichlorophenyl)methyl]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136720879
2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135813235
(2E)-5-[(4-methylphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135495445
5-[(3-methylphenyl)methyl]-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-one
CID 135707412
(2E,5R)-5-benzyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 135665687
5-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135707402
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150
(5S)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135555574

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135760231) is (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1.
What is the InChIKey of (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is RNPKDPVBHACDRW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-7-9-14(10-8-12)18-17-19-16(20)15(21-17)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19,20)/t15-/m0/s1.
What are the key properties of (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 296.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135760231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).