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

C20H21N3O2S — CID 135952219

IUPACN-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)NCc1ccccc1
InChIInChI=1S/C20H21N3O2S/c24-18(22-14-16-9-5-2-6-10-16)13-17-19(25)23-20(26-17)21-12-11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,24)(H,21,23,25)/t17-/m1/s1
InChIKeyNMXFPANNIPEGNS-QGZVFWFLSA-N
MW367.47 g/mol
LogP2.52
Rot. Bonds7

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

N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135952219) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID135952219
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)NCc1ccccc1
InChIInChI=1S/C20H21N3O2S/c24-18(22-14-16-9-5-2-6-10-16)13-17-19(25)23-20(26-17)21-12-11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,24)(H,21,23,25)/t17-/m1/s1
InChIKeyNMXFPANNIPEGNS-QGZVFWFLSA-N
XLogP2.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.52
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-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135952194
N-naphthalen-1-yl-2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135836409
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135797709
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
2-[(5S)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]-N-(4-propoxyphenyl)acetamide
CID 135692048
N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137206935
N-benzyl-2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828406
N-benzyl-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135460872
2-[(5R)-4-oxo-2-[[(2S)-oxolan-2-yl]methylimino]-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 135708434
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
CID 135837036
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691756

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide (CID 135952219) is N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is NMXFPANNIPEGNS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-18(22-14-16-9-5-2-6-10-16)13-17-19(25)23-20(26-17)21-12-11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,24)(H,21,23,25)/t17-/m1/s1.
What are the key properties of N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide?
N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5R)-4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135952219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).