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

C10H10N2O2S — CID 2766085

IUPAC5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(CC2SC(=O)NC2=O)c1
InChIInChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5,11H2,(H,12,13,14)
InChIKeyWFKLCAMMJLTHON-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.16
Rot. Bonds2

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

5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2766085) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID2766085
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(CC2SC(=O)NC2=O)c1
InChIInChI=1S/C10H10N2O2S/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5,11H2,(H,12,13,14)
InChIKeyWFKLCAMMJLTHON-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 2766085) is 5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione is Nc1cccc(CC2SC(=O)NC2=O)c1.
What is the InChIKey of 5-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is WFKLCAMMJLTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-7-3-1-2-6(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-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(3-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-[(3-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2766085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).