5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol

C18H12FN3OS — CID 25031324

IUPAC5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol
SMILESOc1cc(F)ccc1-n1nnc(S)c1-c1cccc2ccccc12
InChIInChI=1S/C18H12FN3OS/c19-12-8-9-15(16(23)10-12)22-17(18(24)20-21-22)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,23-24H
InChIKeyYLZSIJWVVKNVOF-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.22
Rot. Bonds2

About 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol

5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol (PubChem CID 25031324) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol
PubChem CID25031324
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol
SMILESOc1cc(F)ccc1-n1nnc(S)c1-c1cccc2ccccc12
InChIInChI=1S/C18H12FN3OS/c19-12-8-9-15(16(23)10-12)22-17(18(24)20-21-22)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,23-24H
InChIKeyYLZSIJWVVKNVOF-UHFFFAOYSA-N
XLogP4.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol?
The IUPAC name of 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol (CID 25031324) is 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol.
What is the SMILES notation for 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol?
The canonical SMILES for 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol is Oc1cc(F)ccc1-n1nnc(S)c1-c1cccc2ccccc12.
What is the InChIKey of 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol?
The InChIKey is YLZSIJWVVKNVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-12-8-9-15(16(23)10-12)22-17(18(24)20-21-22)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,23-24H.
What are the key properties of 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol?
5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol has a molecular weight of 337.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-naphthalen-1-yl-4-sulfanyltriazol-1-yl)phenol is sourced from PubChem (CID 25031324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).