5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C18H13FN2O4S — CID 90693785

IUPAC5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)NC(O)=CN1c1cc2cc(-c3ccccc3F)ccc2cc1O
InChIInChI=1S/C18H13FN2O4S/c19-15-4-2-1-3-14(15)12-6-5-11-9-17(22)16(8-13(11)7-12)21-10-18(23)20-26(21,24)25/h1-10,20,22-23H
InChIKeyFQGHGJUEPVMXPP-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.36
Rot. Bonds2

About 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 90693785) has the molecular formula C18H13FN2O4S and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID90693785
Molecular FormulaC18H13FN2O4S
Molecular Weight372.38 g/mol
Exact Mass372.06
IUPAC Name5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)NC(O)=CN1c1cc2cc(-c3ccccc3F)ccc2cc1O
InChIInChI=1S/C18H13FN2O4S/c19-15-4-2-1-3-14(15)12-6-5-11-9-17(22)16(8-13(11)7-12)21-10-18(23)20-26(21,24)25/h1-10,20,22-23H
InChIKeyFQGHGJUEPVMXPP-UHFFFAOYSA-N
XLogP3.36
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 90693785) is 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is O=S1(=O)NC(O)=CN1c1cc2cc(-c3ccccc3F)ccc2cc1O.
What is the InChIKey of 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is FQGHGJUEPVMXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4S/c19-15-4-2-1-3-14(15)12-6-5-11-9-17(22)16(8-13(11)7-12)21-10-18(23)20-26(21,24)25/h1-10,20,22-23H.
What are the key properties of 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 372.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(2-fluorophenyl)-3-hydroxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 90693785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).