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

C14H11NO2S — CID 129391217

IUPAC(5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](Cc2cccc3ccccc23)S1
InChIInChI=1S/C14H11NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2,(H,15,16,17)/t12-/m1/s1
InChIKeyPZOIFFOJXKXXKG-GFCCVEGCSA-N
MW257.31 g/mol
LogP2.73
Rot. Bonds2

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

(5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 129391217) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID129391217
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name(5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](Cc2cccc3ccccc23)S1
InChIInChI=1S/C14H11NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2,(H,15,16,17)/t12-/m1/s1
InChIKeyPZOIFFOJXKXXKG-GFCCVEGCSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 129391217) is (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)[C@@H](Cc2cccc3ccccc23)S1.
What is the InChIKey of (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is PZOIFFOJXKXXKG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2,(H,15,16,17)/t12-/m1/s1.
What are the key properties of (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione?
(5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 257.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 129391217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).