1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole

C19H15FN4S — CID 3732698

IUPAC1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole
SMILESFc1ccc(CSc2nnnn2Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H15FN4S/c20-18-11-10-15(16-8-4-5-9-17(16)18)13-25-19-21-22-23-24(19)12-14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyRTSKYZSAQIBTAX-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.31
Rot. Bonds5

About 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole

1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole (PubChem CID 3732698) has the molecular formula C19H15FN4S and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole
PubChem CID3732698
Molecular FormulaC19H15FN4S
Molecular Weight350.42 g/mol
Exact Mass350.10
IUPAC Name1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole
SMILESFc1ccc(CSc2nnnn2Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H15FN4S/c20-18-11-10-15(16-8-4-5-9-17(16)18)13-25-19-21-22-23-24(19)12-14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyRTSKYZSAQIBTAX-UHFFFAOYSA-N
XLogP4.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole?
The IUPAC name of 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole (CID 3732698) is 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole is Fc1ccc(CSc2nnnn2Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole?
The InChIKey is RTSKYZSAQIBTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S/c20-18-11-10-15(16-8-4-5-9-17(16)18)13-25-19-21-22-23-24(19)12-14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole?
1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole has a molecular weight of 350.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(4-fluoronaphthalen-1-yl)methylsulfanyl]tetrazole is sourced from PubChem (CID 3732698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).