1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole

C15H12F2N4S — CID 112842918

IUPAC1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole
SMILESFc1ccc(F)c(CSc2nnnn2Cc2ccccc2)c1
InChIInChI=1S/C15H12F2N4S/c16-13-6-7-14(17)12(8-13)10-22-15-18-19-20-21(15)9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeySOURXBGKAWMQIP-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.29
Rot. Bonds5

About 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole

1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole (PubChem CID 112842918) has the molecular formula C15H12F2N4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole
PubChem CID112842918
Molecular FormulaC15H12F2N4S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole
SMILESFc1ccc(F)c(CSc2nnnn2Cc2ccccc2)c1
InChIInChI=1S/C15H12F2N4S/c16-13-6-7-14(17)12(8-13)10-22-15-18-19-20-21(15)9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeySOURXBGKAWMQIP-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole (CID 112842918) is 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole is Fc1ccc(F)c(CSc2nnnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole?
The InChIKey is SOURXBGKAWMQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4S/c16-13-6-7-14(17)12(8-13)10-22-15-18-19-20-21(15)9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole?
1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole has a molecular weight of 318.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(2,5-difluorophenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 112842918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).