[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium

C15H17FN5OS+ — CID 7248404

IUPAC[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
SMILESCn1nnnc1SCC[NH2+]Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C15H16FN5OS/c1-21-15(18-19-20-21)23-9-8-17-10-11-6-7-14(22-11)12-4-2-3-5-13(12)16/h2-7,17H,8-10H2,1H3/p+1
InChIKeyLFEMCCMJEUIACN-UHFFFAOYSA-O
MW334.40 g/mol
LogP1.46
Rot. Bonds7

About [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium

[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium (PubChem CID 7248404) has the molecular formula C15H17FN5OS+ and a molecular weight of 334.40 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
PubChem CID7248404
Molecular FormulaC15H17FN5OS+
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
SMILESCn1nnnc1SCC[NH2+]Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C15H16FN5OS/c1-21-15(18-19-20-21)23-9-8-17-10-11-6-7-14(22-11)12-4-2-3-5-13(12)16/h2-7,17H,8-10H2,1H3/p+1
InChIKeyLFEMCCMJEUIACN-UHFFFAOYSA-O
XLogP1.46
TPSA73.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447687
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 8622356
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
CID 4726884
ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 7425125
2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium
CID 7005222
(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622071
2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7450464
(4-ethoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7449437
(2,6-dichlorophenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639757
(5-bromo-2-methoxyphenyl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium chloride
CID 44664242
(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248407
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium (CID 7248404) is [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium is Cn1nnnc1SCC[NH2+]Cc1ccc(-c2ccccc2F)o1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
The InChIKey is LFEMCCMJEUIACN-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16FN5OS/c1-21-15(18-19-20-21)23-9-8-17-10-11-6-7-14(22-11)12-4-2-3-5-13(12)16/h2-7,17H,8-10H2,1H3/p+1.
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium?
[5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium has a molecular weight of 334.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium is sourced from PubChem (CID 7248404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).