5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole

C15H13FN4S — CID 7713366

IUPAC5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
SMILESCSc1ccc(Cn2nnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H13FN4S/c1-21-14-8-2-11(3-9-14)10-20-18-15(17-19-20)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyGIRGPMVQWYCWNY-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.25
Rot. Bonds4

About 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole

5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole (PubChem CID 7713366) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
PubChem CID7713366
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
SMILESCSc1ccc(Cn2nnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H13FN4S/c1-21-14-8-2-11(3-9-14)10-20-18-15(17-19-20)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyGIRGPMVQWYCWNY-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole (CID 7713366) is 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole is CSc1ccc(Cn2nnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole?
The InChIKey is GIRGPMVQWYCWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S/c1-21-14-8-2-11(3-9-14)10-20-18-15(17-19-20)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole?
5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole has a molecular weight of 300.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole is sourced from PubChem (CID 7713366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).