2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid

C11H11NO3S — CID 10847476

IUPAC2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-9-7-16-11(12(9)6-10(14)15)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,14,15)
InChIKeyRACZCUSQYCSZAE-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.35
Rot. Bonds3

About 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid

2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid (PubChem CID 10847476) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
PubChem CID10847476
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-9-7-16-11(12(9)6-10(14)15)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,14,15)
InChIKeyRACZCUSQYCSZAE-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556
2-(4-oxo-2-phenyl-(213C)1,3-thiazolidin-3-yl)acetamide
CID 10705033
methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 23908643
N-(3,5-difluorophenyl)-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 11302478
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
2-[(2S)-5-(1,3-dioxoisoindol-2-yl)-4-oxo-2-phenyl-1,3-thiazinan-3-yl]acetic acid
CID 70059603
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one
CID 23822954
N-octadecyl-2-[4-oxo-2-(4-phenylphenyl)-1,3-thiazolidin-3-yl]acetamide
CID 11215178

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid (CID 10847476) is 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid is O=C(O)CN1C(=O)CSC1c1ccccc1.
What is the InChIKey of 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid?
The InChIKey is RACZCUSQYCSZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-9-7-16-11(12(9)6-10(14)15)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,14,15).
What are the key properties of 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid?
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid is sourced from PubChem (CID 10847476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).