N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide

C12H12N2O3S — CID 1352347

IUPACN-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1SC(=O)NC1=O)NCc1ccccc1
InChIInChI=1S/C12H12N2O3S/c15-10(6-9-11(16)14-12(17)18-9)13-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/m0/s1
InChIKeyBEWLWRHDSMNVSG-VIFPVBQESA-N
MW264.31 g/mol
LogP1.04
Rot. Bonds4

About N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide

N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1352347) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID1352347
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@@H]1SC(=O)NC1=O)NCc1ccccc1
InChIInChI=1S/C12H12N2O3S/c15-10(6-9-11(16)14-12(17)18-9)13-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/m0/s1
InChIKeyBEWLWRHDSMNVSG-VIFPVBQESA-N
XLogP1.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', '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
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
N-benzyl-2-[(5S)-4-oxo-2-(1-phenylpropylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137206935
N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide
CID 27350767
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-benzylacetamide
CID 1355205
N-benzyl-2-[(2E,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828406
6-[2-(benzylamino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 3158850
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyphenyl)acetamide
CID 1213000
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
CID 7013183

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide (CID 1352347) is N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@@H]1SC(=O)NC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is BEWLWRHDSMNVSG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-10(6-9-11(16)14-12(17)18-9)13-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/m0/s1.
What are the key properties of N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide?
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 264.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1352347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).