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

C13H12FN5S — CID 60942277

IUPAC2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1cc(-n2cnnn2)ccc1F)c1cccs1
InChIInChI=1S/C13H12FN5S/c1-9(13-3-2-6-20-13)16-12-7-10(4-5-11(12)14)19-8-15-17-18-19/h2-9,16H,1H3
InChIKeyBJTKRNOWLLVSRW-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.04
Rot. Bonds4

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

2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 60942277) has the molecular formula C13H12FN5S and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
PubChem CID60942277
Molecular FormulaC13H12FN5S
Molecular Weight289.34 g/mol
Exact Mass289.08
IUPAC Name2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1cc(-n2cnnn2)ccc1F)c1cccs1
InChIInChI=1S/C13H12FN5S/c1-9(13-3-2-6-20-13)16-12-7-10(4-5-11(12)14)19-8-15-17-18-19/h2-9,16H,1H3
InChIKeyBJTKRNOWLLVSRW-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline (CID 60942277) is 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline is CC(Nc1cc(-n2cnnn2)ccc1F)c1cccs1.
What is the InChIKey of 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is BJTKRNOWLLVSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5S/c1-9(13-3-2-6-20-13)16-12-7-10(4-5-11(12)14)19-8-15-17-18-19/h2-9,16H,1H3.
What are the key properties of 2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline?
2-fluoro-5-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 289.34 g/mol, XLogP of 3.04, 4 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-ylethyl)aniline is sourced from PubChem (CID 60942277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).