5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C13H12N2O5S — CID 25102799

IUPAC5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1
InChIInChI=1S/C13H12N2O5S/c1-20-10-3-2-8-6-12(16)11(5-9(8)4-10)15-7-13(17)14-21(15,18)19/h2-6,16H,7H2,1H3,(H,14,17)
InChIKeyIDDDFTLUZLYJJA-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.74
Rot. Bonds2

About 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 25102799) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID25102799
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1
InChIInChI=1S/C13H12N2O5S/c1-20-10-3-2-8-6-12(16)11(5-9(8)4-10)15-7-13(17)14-21(15,18)19/h2-6,16H,7H2,1H3,(H,14,17)
InChIKeyIDDDFTLUZLYJJA-UHFFFAOYSA-N
XLogP0.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 25102799) is 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one is COc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1.
What is the InChIKey of 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is IDDDFTLUZLYJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-20-10-3-2-8-6-12(16)11(5-9(8)4-10)15-7-13(17)14-21(15,18)19/h2-6,16H,7H2,1H3,(H,14,17).
What are the key properties of 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 308.31 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 25102799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).