5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione

C13H10N2O2S — CID 3155755

IUPAC5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Nc2cccc3ccccc23)S1
InChIInChI=1S/C13H10N2O2S/c16-11-12(18-13(17)15-11)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12,14H,(H,15,16,17)
InChIKeyLEKXGDDYFOAYFT-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.56
Rot. Bonds2

About 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione

5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione (PubChem CID 3155755) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
PubChem CID3155755
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Nc2cccc3ccccc23)S1
InChIInChI=1S/C13H10N2O2S/c16-11-12(18-13(17)15-11)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12,14H,(H,15,16,17)
InChIKeyLEKXGDDYFOAYFT-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione (CID 3155755) is 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Nc2cccc3ccccc23)S1.
What is the InChIKey of 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione?
The InChIKey is LEKXGDDYFOAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-11-12(18-13(17)15-11)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12,14H,(H,15,16,17).
What are the key properties of 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione?
5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione has a molecular weight of 258.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylamino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3155755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).