N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline

C13H11BrFN5S — CID 60999496

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESCC(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Br)s1
InChIInChI=1S/C13H11BrFN5S/c1-8(12-4-5-13(14)21-12)17-11-6-9(2-3-10(11)15)20-7-16-18-19-20/h2-8,17H,1H3
InChIKeyUQVCZRSGOFHTQN-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.80
Rot. Bonds4

About N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline

N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline (PubChem CID 60999496) has the molecular formula C13H11BrFN5S and a molecular weight of 368.24 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline
PubChem CID60999496
Molecular FormulaC13H11BrFN5S
Molecular Weight368.24 g/mol
Exact Mass366.99
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESCC(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Br)s1
InChIInChI=1S/C13H11BrFN5S/c1-8(12-4-5-13(14)21-12)17-11-6-9(2-3-10(11)15)20-7-16-18-19-20/h2-8,17H,1H3
InChIKeyUQVCZRSGOFHTQN-UHFFFAOYSA-N
XLogP3.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline (CID 60999496) is N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline is CC(Nc1cc(-n2cnnn2)ccc1F)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The InChIKey is UQVCZRSGOFHTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN5S/c1-8(12-4-5-13(14)21-12)17-11-6-9(2-3-10(11)15)20-7-16-18-19-20/h2-8,17H,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline has a molecular weight of 368.24 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2-fluoro-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60999496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).