5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C13H16N2O5S — CID 90848262

IUPAC5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCOC1CCc2cc(N3C=C(O)NS3(=O)=O)c(O)cc2C1
InChIInChI=1S/C13H16N2O5S/c1-20-10-3-2-8-5-11(12(16)6-9(8)4-10)15-7-13(17)14-21(15,18)19/h5-7,10,14,16-17H,2-4H2,1H3
InChIKeySFUCGLICVAWUMW-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.91
Rot. Bonds2

About 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 90848262) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID90848262
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCOC1CCc2cc(N3C=C(O)NS3(=O)=O)c(O)cc2C1
InChIInChI=1S/C13H16N2O5S/c1-20-10-3-2-8-5-11(12(16)6-9(8)4-10)15-7-13(17)14-21(15,18)19/h5-7,10,14,16-17H,2-4H2,1H3
InChIKeySFUCGLICVAWUMW-UHFFFAOYSA-N
XLogP0.91
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 90848262) is 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is COC1CCc2cc(N3C=C(O)NS3(=O)=O)c(O)cc2C1.
What is the InChIKey of 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is SFUCGLICVAWUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-20-10-3-2-8-5-11(12(16)6-9(8)4-10)15-7-13(17)14-21(15,18)19/h5-7,10,14,16-17H,2-4H2,1H3.
What are the key properties of 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 312.35 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 90848262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).