5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole

C16H14F2N4OS — CID 60516176

IUPAC5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1SC(C)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N4OS/c1-10(15-11(17)6-5-7-12(15)18)24-16-19-20-21-22(16)13-8-3-4-9-14(13)23-2/h3-10H,1-2H3
InChIKeyXFMLPINNPBQRCE-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.80
Rot. Bonds5

About 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole

5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole (PubChem CID 60516176) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole
PubChem CID60516176
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1SC(C)c1c(F)cccc1F
InChIInChI=1S/C16H14F2N4OS/c1-10(15-11(17)6-5-7-12(15)18)24-16-19-20-21-22(16)13-8-3-4-9-14(13)23-2/h3-10H,1-2H3
InChIKeyXFMLPINNPBQRCE-UHFFFAOYSA-N
XLogP3.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
N-(3-Amino-4-methyl-phenyl)-2-[1-(2-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1173903
2-[(1-benzyl-1H-tetrazol-5-yl)thio]-N-(2-methoxyphenyl)acetamide
CID 1319426
5-[2-(2-Fluorophenoxy)ethylsulfanyl]-1-phenyltetrazole
CID 2211396
N-(2-Methoxy-phenyl)-2-(1-p-tolyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 2616947
1-(2-Methoxy-5-methylphenyl)-5-(2-oxanylmethylthio)tetrazole
CID 2997968
2-[1-(2-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenyl-acetamide
CID 865913
4-[5-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 4815411
4-[5-[(5-Fluoro-2-methoxyphenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 8177315
5-[(4-Chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 839626
5-(benzylsulfonyl)-1-(3-methoxyphenyl)-1H-tetrazole
CID 970664

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole?
The IUPAC name of 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole (CID 60516176) is 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole?
The canonical SMILES for 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole is COc1ccccc1-n1nnnc1SC(C)c1c(F)cccc1F.
What is the InChIKey of 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole?
The InChIKey is XFMLPINNPBQRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c1-10(15-11(17)6-5-7-12(15)18)24-16-19-20-21-22(16)13-8-3-4-9-14(13)23-2/h3-10H,1-2H3.
What are the key properties of 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole?
5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole has a molecular weight of 348.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-difluorophenyl)ethylsulfanyl]-1-(2-methoxyphenyl)tetrazole is sourced from PubChem (CID 60516176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).