2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline

C14H14FN5S — CID 60943787

IUPAC2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cc(-n2cnnn2)ccc1F)c1cccs1
InChIInChI=1S/C14H14FN5S/c1-2-12(14-4-3-7-21-14)17-13-8-10(5-6-11(13)15)20-9-16-18-19-20/h3-9,12,17H,2H2,1H3
InChIKeyPBACRLDGXFBVPS-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.43
Rot. Bonds5

About 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline

2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 60943787) has the molecular formula C14H14FN5S and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID60943787
Molecular FormulaC14H14FN5S
Molecular Weight303.37 g/mol
Exact Mass303.10
IUPAC Name2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cc(-n2cnnn2)ccc1F)c1cccs1
InChIInChI=1S/C14H14FN5S/c1-2-12(14-4-3-7-21-14)17-13-8-10(5-6-11(13)15)20-9-16-18-19-20/h3-9,12,17H,2H2,1H3
InChIKeyPBACRLDGXFBVPS-UHFFFAOYSA-N
XLogP3.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline 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 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline (CID 60943787) is 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1cc(-n2cnnn2)ccc1F)c1cccs1.
What is the InChIKey of 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is PBACRLDGXFBVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5S/c1-2-12(14-4-3-7-21-14)17-13-8-10(5-6-11(13)15)20-9-16-18-19-20/h3-9,12,17H,2H2,1H3.
What are the key properties of 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline?
2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 303.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 60943787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).