N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C13H10FN5O2S — CID 8006706

IUPACN-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN5O2S/c14-9-3-5-10(6-4-9)15-11(20)8-18-13(21)19(17-16-18)12-2-1-7-22-12/h1-7H,8H2,(H,15,20)
InChIKeyKQHKTDVHNNGDQR-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.27
Rot. Bonds4

About N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 8006706) has the molecular formula C13H10FN5O2S and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID8006706
Molecular FormulaC13H10FN5O2S
Molecular Weight319.32 g/mol
Exact Mass319.05
IUPAC NameN-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H10FN5O2S/c14-9-3-5-10(6-4-9)15-11(20)8-18-13(21)19(17-16-18)12-2-1-7-22-12/h1-7H,8H2,(H,15,20)
InChIKeyKQHKTDVHNNGDQR-UHFFFAOYSA-N
XLogP1.27
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide 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 N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 8006706) is N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2cccs2)c1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is KQHKTDVHNNGDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2S/c14-9-3-5-10(6-4-9)15-11(20)8-18-13(21)19(17-16-18)12-2-1-7-22-12/h1-7H,8H2,(H,15,20).
What are the key properties of N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 319.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 8006706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).