(4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium

C14H15FN5OS+ — CID 9241476

IUPAC(4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium
SMILESC[NH+](Cc1ccc(F)cc1)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C14H14FN5OS/c1-18(9-11-4-6-12(15)7-5-11)10-19-14(21)20(17-16-19)13-3-2-8-22-13/h2-8H,9-10H2,1H3/p+1
InChIKeyPVMNROHIMIREKY-UHFFFAOYSA-O
MW320.37 g/mol
LogP0.30
Rot. Bonds5

About (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium

(4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium (PubChem CID 9241476) has the molecular formula C14H15FN5OS+ and a molecular weight of 320.37 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium
PubChem CID9241476
Molecular FormulaC14H15FN5OS+
Molecular Weight320.37 g/mol
Exact Mass320.10
IUPAC Name(4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium
SMILESC[NH+](Cc1ccc(F)cc1)Cn1nnn(-c2cccs2)c1=O
InChIInChI=1S/C14H14FN5OS/c1-18(9-11-4-6-12(15)7-5-11)10-19-14(21)20(17-16-19)13-3-2-8-22-13/h2-8H,9-10H2,1H3/p+1
InChIKeyPVMNROHIMIREKY-UHFFFAOYSA-O
XLogP0.30
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium?
The IUPAC name of (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium (CID 9241476) is (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium.
What is the SMILES notation for (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium?
The canonical SMILES for (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium is C[NH+](Cc1ccc(F)cc1)Cn1nnn(-c2cccs2)c1=O.
What is the InChIKey of (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium?
The InChIKey is PVMNROHIMIREKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14FN5OS/c1-18(9-11-4-6-12(15)7-5-11)10-19-14(21)20(17-16-19)13-3-2-8-22-13/h2-8H,9-10H2,1H3/p+1.
What are the key properties of (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium?
(4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium has a molecular weight of 320.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]azanium is sourced from PubChem (CID 9241476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).