2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

C13H10N2O2S — CID 6539148

IUPAC2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2cccc3ccccc23)c1=O
InChIInChI=1S/C13H10N2O2S/c1-14-12(16)15(13(17)18-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyXITIQXYTIHHGHR-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.75
Rot. Bonds1

About 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 6539148) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID6539148
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2cccc3ccccc23)c1=O
InChIInChI=1S/C13H10N2O2S/c1-14-12(16)15(13(17)18-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyXITIQXYTIHHGHR-UHFFFAOYSA-N
XLogP1.75
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione (CID 6539148) is 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione is Cn1sc(=O)n(-c2cccc3ccccc23)c1=O.
What is the InChIKey of 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is XITIQXYTIHHGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-14-12(16)15(13(17)18-14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione?
2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 258.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 6539148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).