5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione

C10H10N2O2S — CID 2768377

IUPAC5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C10H10N2O2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5,11H2,(H,12,13,14)
InChIKeyQEVZXOBJHGOAML-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.16
Rot. Bonds2

About 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione

5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2768377) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID2768377
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C10H10N2O2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5,11H2,(H,12,13,14)
InChIKeyQEVZXOBJHGOAML-UHFFFAOYSA-N
XLogP1.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-(4'-Aminophenyl)pyrrolidine-2,5-dione
CID 161760
5-Benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 3976167
5-Benzyl-3-phenylthiazolidine-2,4-dione
CID 290163
(E)-5-benzyl-2-(phenylimino)thiazolidin-4-one
CID 135406212
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3109982
2-(2,4-Dioxo-3-propyl-thiazolidin-5-yl)-N-p-tolyl-acetamide
CID 3155762
AzoRosi-4
CID 162647330
N-(4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 5891516
5-(3-Aminobenzyl)thiazolidine-2,4-dione
CID 2766085
3-[(4-Aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 12052430
S-[2-(4-methylanilino)-2-oxoethyl] carbamothioate
CID 224668

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 2768377) is 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione is Nc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is QEVZXOBJHGOAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5,11H2,(H,12,13,14).
What are the key properties of 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 222.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2768377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).