2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid

C13H14N2O3S — CID 7176491

IUPAC2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
SMILESCCN1C(=O)[C@H](CC(=O)O)S/C1=N\c1ccccc1
InChIInChI=1S/C13H14N2O3S/c1-2-15-12(18)10(8-11(16)17)19-13(15)14-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17)/b14-13-/t10-/m0/s1
InChIKeyAJXQDJRRPGVYOT-DZOVYVGFSA-N
MW278.33 g/mol
LogP2.11
Rot. Bonds4

About 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid

2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 7176491) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
PubChem CID7176491
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
SMILESCCN1C(=O)[C@H](CC(=O)O)S/C1=N\c1ccccc1
InChIInChI=1S/C13H14N2O3S/c1-2-15-12(18)10(8-11(16)17)19-13(15)14-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17)/b14-13-/t10-/m0/s1
InChIKeyAJXQDJRRPGVYOT-DZOVYVGFSA-N
XLogP2.11
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetate
CID 7176490
2-[3-(2,2-dimethoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 45145606
2-[(5S)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 1280321
2-[(5S)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 28776742
2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41244800
N-(2,4-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 7324019
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527
[2-[[2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetyl]amino]phenyl] acetate
CID 21368536
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
ethyl 4-[[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3409650
2-[2-(5-chloro-2-methoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 45143212

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid (CID 7176491) is 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid is CCN1C(=O)[C@H](CC(=O)O)S/C1=N\c1ccccc1.
What is the InChIKey of 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is AJXQDJRRPGVYOT-DZOVYVGFSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-15-12(18)10(8-11(16)17)19-13(15)14-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17)/b14-13-/t10-/m0/s1.
What are the key properties of 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid?
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 7176491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).