[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium

C16H19FN5OS+ — CID 7447687

IUPAC[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
SMILESCn1nnnc1SCCC[NH2+]Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H18FN5OS/c1-22-16(19-20-21-22)24-10-4-9-18-11-12-7-8-15(23-12)13-5-2-3-6-14(13)17/h2-3,5-8,18H,4,9-11H2,1H3/p+1
InChIKeyIGUZRILRCCJUGZ-UHFFFAOYSA-O
MW348.43 g/mol
LogP1.86
Rot. Bonds8

About [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium

[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium (PubChem CID 7447687) has the molecular formula C16H19FN5OS+ and a molecular weight of 348.43 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
PubChem CID7447687
Molecular FormulaC16H19FN5OS+
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
SMILESCn1nnnc1SCCC[NH2+]Cc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H18FN5OS/c1-22-16(19-20-21-22)24-10-4-9-18-11-12-7-8-15(23-12)13-5-2-3-6-14(13)17/h2-3,5-8,18H,4,9-11H2,1H3/p+1
InChIKeyIGUZRILRCCJUGZ-UHFFFAOYSA-O
XLogP1.86
TPSA73.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.86
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-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248404
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium
CID 8622356
ethyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 7425125
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
CID 4726884
(2,6-dichlorophenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639757
(2-chlorophenyl)methyl-[[5-(2-fluorophenyl)furan-2-yl]methyl]azanium
CID 8622071
(3,4-diethoxyphenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639828
[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639858
2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium
CID 7005222
(5-bromo-2-ethoxyphenyl)methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 7447659
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
CID 13061964
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17056498

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium (CID 7447687) is [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium is Cn1nnnc1SCCC[NH2+]Cc1ccc(-c2ccccc2F)o1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium?
The InChIKey is IGUZRILRCCJUGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18FN5OS/c1-22-16(19-20-21-22)24-10-4-9-18-11-12-7-8-15(23-12)13-5-2-3-6-14(13)17/h2-3,5-8,18H,4,9-11H2,1H3/p+1.
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium?
[5-(2-fluorophenyl)furan-2-yl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium has a molecular weight of 348.43 g/mol, XLogP of 1.86, 8 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-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium is sourced from PubChem (CID 7447687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).