5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole

C17H15FN2S — CID 142039308

IUPAC5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C(C)c2ccc(-c3ccccc3)c(F)c2)n1
InChIInChI=1S/C17H15FN2S/c1-11(17-19-12(2)20-21-17)14-8-9-15(16(18)10-14)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyHZEOCSCHMYLPGL-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.80
Rot. Bonds3

About 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole

5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole (PubChem CID 142039308) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole
PubChem CID142039308
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C(C)c2ccc(-c3ccccc3)c(F)c2)n1
InChIInChI=1S/C17H15FN2S/c1-11(17-19-12(2)20-21-17)14-8-9-15(16(18)10-14)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyHZEOCSCHMYLPGL-UHFFFAOYSA-N
XLogP4.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole (CID 142039308) is 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(C(C)c2ccc(-c3ccccc3)c(F)c2)n1.
What is the InChIKey of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is HZEOCSCHMYLPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-11(17-19-12(2)20-21-17)14-8-9-15(16(18)10-14)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole?
5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 298.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 142039308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).