2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid

C20H17N3O4S — CID 56677026

IUPAC2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid
SMILESCC(C(=O)O)N1C(=O)/C(=C/C(=O)Nc2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C20H17N3O4S/c1-13(19(26)27)23-18(25)16(12-17(24)21-14-8-4-2-5-9-14)28-20(23)22-15-10-6-3-7-11-15/h2-13H,1H3,(H,21,24)(H,26,27)/b16-12-,22-20-
InChIKeyYTSWEJGGKLRSMZ-YQNMCFFESA-N
MW395.44 g/mol
LogP3.25
Rot. Bonds5

About 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid

2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid (PubChem CID 56677026) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid
PubChem CID56677026
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid
SMILESCC(C(=O)O)N1C(=O)/C(=C/C(=O)Nc2ccccc2)S/C1=N\c1ccccc1
InChIInChI=1S/C20H17N3O4S/c1-13(19(26)27)23-18(25)16(12-17(24)21-14-8-4-2-5-9-14)28-20(23)22-15-10-6-3-7-11-15/h2-13H,1H3,(H,21,24)(H,26,27)/b16-12-,22-20-
InChIKeyYTSWEJGGKLRSMZ-YQNMCFFESA-N
XLogP3.25
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[5-(2-methoxy-2-oxoethylidene)-4-oxo-3-propan-2-yl-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4002292
(2S)-2-[[(2S)-2-[5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoyl]amino]propanamide
CID 173465025
(2E)-N-(4-fluorophenyl)-2-[4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazolidin-5-ylidene]acetamide;hydrobromide
CID 17118402
ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate
CID 102361310
N-(3-chlorophenyl)-2-[4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 5042171
(2S)-2-[[(2S)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoyl]amino]-3-(4-hydroxyphenyl)propanamide
CID 25149409
methyl (2E)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]acetate
CID 7323961
(2Z)-2-[3-(morpholin-4-ium-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]-N-phenylacetamide
CID 7348794
2-[(5Z)-5-(1-benzothiophen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 178169343
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 142860668
3-[[(5Z)-5-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-4-oxo-3-propan-2-yl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 71819017

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid?
The IUPAC name of 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid (CID 56677026) is 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid?
The canonical SMILES for 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid is CC(C(=O)O)N1C(=O)/C(=C/C(=O)Nc2ccccc2)S/C1=N\c1ccccc1.
What is the InChIKey of 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid?
The InChIKey is YTSWEJGGKLRSMZ-YQNMCFFESA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-13(19(26)27)23-18(25)16(12-17(24)21-14-8-4-2-5-9-14)28-20(23)22-15-10-6-3-7-11-15/h2-13H,1H3,(H,21,24)(H,26,27)/b16-12-,22-20-.
What are the key properties of 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid?
2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid has a molecular weight of 395.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-(2-anilino-2-oxoethylidene)-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]propanoic acid is sourced from PubChem (CID 56677026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).