5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole

C15H13FN4OS — CID 6483380

IUPAC5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN4OS/c1-21-14-8-6-13(7-9-14)20-15(17-18-19-20)22-10-11-2-4-12(16)5-3-11/h2-9H,10H2,1H3
InChIKeyLAQUWSZJHURLCI-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.10
Rot. Bonds5

About 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole

5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole (PubChem CID 6483380) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole
PubChem CID6483380
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN4OS/c1-21-14-8-6-13(7-9-14)20-15(17-18-19-20)22-10-11-2-4-12(16)5-3-11/h2-9H,10H2,1H3
InChIKeyLAQUWSZJHURLCI-UHFFFAOYSA-N
XLogP3.10
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-{[(2-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 9862331
5-(benzylsulfanyl)-N-(4-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 9883247
5-{[(3,4-difluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 9884688
1-(4-ethoxyphenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731967
4-((1-(4-Methoxyphenyl)-1H-tetrazol-5-yl)thio)but-2-yn-1-ol
CID 666301
3-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2945197
1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
5-(4-Fluorophenoxy)-1-phenyltetrazole
CID 713745
2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 1262812
5-(2-Phenoxyethylsulfanyl)-1-phenyltetrazole
CID 1594276
5-[2-(2-Fluorophenoxy)ethylsulfanyl]-1-phenyltetrazole
CID 2211396
1-(2-Methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazole
CID 2997968

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole (CID 6483380) is 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole is COc1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole?
The InChIKey is LAQUWSZJHURLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-21-14-8-6-13(7-9-14)20-15(17-18-19-20)22-10-11-2-4-12(16)5-3-11/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole?
5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole has a molecular weight of 316.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 6483380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).