5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C12H9FN2O4S — CID 90703455

IUPAC5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)NC(O)=CN1c1c(O)cc2ccccc2c1F
InChIInChI=1S/C12H9FN2O4S/c13-11-8-4-2-1-3-7(8)5-9(16)12(11)15-6-10(17)14-20(15,18)19/h1-6,14,16-17H
InChIKeyYQERMVVZECNOLQ-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.70
Rot. Bonds1

About 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 90703455) has the molecular formula C12H9FN2O4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID90703455
Molecular FormulaC12H9FN2O4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)NC(O)=CN1c1c(O)cc2ccccc2c1F
InChIInChI=1S/C12H9FN2O4S/c13-11-8-4-2-1-3-7(8)5-9(16)12(11)15-6-10(17)14-20(15,18)19/h1-6,14,16-17H
InChIKeyYQERMVVZECNOLQ-UHFFFAOYSA-N
XLogP1.70
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 90703455) is 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is O=S1(=O)NC(O)=CN1c1c(O)cc2ccccc2c1F.
What is the InChIKey of 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is YQERMVVZECNOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4S/c13-11-8-4-2-1-3-7(8)5-9(16)12(11)15-6-10(17)14-20(15,18)19/h1-6,14,16-17H.
What are the key properties of 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 296.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-3-hydroxynaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 90703455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).