2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol

C15H11FN2O2S — CID 155620359

IUPAC2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol
SMILESCOc1cc(-c2nc(-c3ccccc3)ns2)cc(F)c1O
InChIInChI=1S/C15H11FN2O2S/c1-20-12-8-10(7-11(16)13(12)19)15-17-14(18-21-15)9-5-3-2-4-6-9/h2-8,19H,1H3
InChIKeyDAYUHFOZYFYGAQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.73
Rot. Bonds3

About 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol

2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol (PubChem CID 155620359) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol
PubChem CID155620359
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol
SMILESCOc1cc(-c2nc(-c3ccccc3)ns2)cc(F)c1O
InChIInChI=1S/C15H11FN2O2S/c1-20-12-8-10(7-11(16)13(12)19)15-17-14(18-21-15)9-5-3-2-4-6-9/h2-8,19H,1H3
InChIKeyDAYUHFOZYFYGAQ-UHFFFAOYSA-N
XLogP3.73
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol?
The IUPAC name of 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol (CID 155620359) is 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol.
What is the SMILES notation for 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol?
The canonical SMILES for 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol is COc1cc(-c2nc(-c3ccccc3)ns2)cc(F)c1O.
What is the InChIKey of 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol?
The InChIKey is DAYUHFOZYFYGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-20-12-8-10(7-11(16)13(12)19)15-17-14(18-21-15)9-5-3-2-4-6-9/h2-8,19H,1H3.
What are the key properties of 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol?
2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol has a molecular weight of 302.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-(3-phenyl-1,2,4-thiadiazol-5-yl)phenol is sourced from PubChem (CID 155620359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).