(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione

C11H9NO3S — CID 7013183

IUPAC(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CC(=O)c2ccccc2)S1
InChIInChI=1S/C11H9NO3S/c13-8(7-4-2-1-3-5-7)6-9-10(14)12-11(15)16-9/h1-5,9H,6H2,(H,12,14,15)/t9-/m0/s1
InChIKeyOBWQRHAIALRLKB-VIFPVBQESA-N
MW235.26 g/mol
LogP1.61
Rot. Bonds3

About (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione

(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 7013183) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID7013183
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CC(=O)c2ccccc2)S1
InChIInChI=1S/C11H9NO3S/c13-8(7-4-2-1-3-5-7)6-9-10(14)12-11(15)16-9/h1-5,9H,6H2,(H,12,14,15)/t9-/m0/s1
InChIKeyOBWQRHAIALRLKB-VIFPVBQESA-N
XLogP1.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-imino-5-phenacyl-1,3-thiazolidin-4-one
CID 138978177
N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide
CID 27350767
2-(fluoren-9-ylidenehydrazinylidene)-5-phenacyl-1,3-thiazolidin-4-one
CID 135483358
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
2-[2-(4-fluorophenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 134915498
5-phenacylimidazolidine-2,4-dione
CID 15716927
2-[2-(4-methylphenyl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 5023549
(2E)-5-phenacyl-2-[(Z)-[(Z)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 135754176
(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
CID 135856685
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
(2E)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135907437

Frequently Asked Questions

What is the IUPAC name of (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione (CID 7013183) is (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione is O=C1NC(=O)[C@H](CC(=O)c2ccccc2)S1.
What is the InChIKey of (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is OBWQRHAIALRLKB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9NO3S/c13-8(7-4-2-1-3-5-7)6-9-10(14)12-11(15)16-9/h1-5,9H,6H2,(H,12,14,15)/t9-/m0/s1.
What are the key properties of (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione?
(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 235.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7013183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).