N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H21N3O2S — CID 135535510

IUPACN-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C/N=C2\NC(=O)C(CC(=O)NCc3ccccc3)S2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-7-9-16(10-8-14)13-22-20-23-19(25)17(26-20)11-18(24)21-12-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyZUQXYYSCVLENMT-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.79
Rot. Bonds6

About N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135535510) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135535510
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(C/N=C2\NC(=O)C(CC(=O)NCc3ccccc3)S2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-7-9-16(10-8-14)13-22-20-23-19(25)17(26-20)11-18(24)21-12-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyZUQXYYSCVLENMT-UHFFFAOYSA-N
XLogP2.79
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135952219
N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135952194
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
CID 135837036
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137206935
2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135692255
N-benzyl-2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828406
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135692269
N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135535510) is N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(C/N=C2\NC(=O)C(CC(=O)NCc3ccccc3)S2)cc1.
What is the InChIKey of N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ZUQXYYSCVLENMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-7-9-16(10-8-14)13-22-20-23-19(25)17(26-20)11-18(24)21-12-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135535510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).