N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline

C13H12BrN5S — CID 107167771

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccc(-n2cnnn2)cc1)c1cc(Br)cs1
InChIInChI=1S/C13H12BrN5S/c1-9(13-6-10(14)7-20-13)16-11-2-4-12(5-3-11)19-8-15-17-18-19/h2-9,16H,1H3
InChIKeyJSOWMIBRTRRUFJ-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline

N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline (PubChem CID 107167771) has the molecular formula C13H12BrN5S and a molecular weight of 350.25 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline
PubChem CID107167771
Molecular FormulaC13H12BrN5S
Molecular Weight350.25 g/mol
Exact Mass349.00
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccc(-n2cnnn2)cc1)c1cc(Br)cs1
InChIInChI=1S/C13H12BrN5S/c1-9(13-6-10(14)7-20-13)16-11-2-4-12(5-3-11)19-8-15-17-18-19/h2-9,16H,1H3
InChIKeyJSOWMIBRTRRUFJ-UHFFFAOYSA-N
XLogP3.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-4-morpholin-4-ylaniline
CID 107167664
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
propan-2-yl 4-[1-(4-bromothiophen-2-yl)ethylamino]benzoate
CID 107354022
N-[1-(4-bromothiophen-2-yl)ethyl]-4-fluoro-3-methylaniline
CID 107354369
N-[1-(4-bromothiophen-2-yl)ethyl]-4-propoxyaniline
CID 107354355
N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine
CID 107353952
5-[1-(4-bromothiophen-2-yl)ethylamino]-2-chlorobenzamide
CID 107354091
N-[1-(4-bromothiophen-2-yl)ethyl]-1H-indazol-6-amine
CID 107354219
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 107167672
5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
CID 103932356
5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one
CID 107354174

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline (CID 107167771) is N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline is CC(Nc1ccc(-n2cnnn2)cc1)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is JSOWMIBRTRRUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5S/c1-9(13-6-10(14)7-20-13)16-11-2-4-12(5-3-11)19-8-15-17-18-19/h2-9,16H,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline?
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 350.25 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 107167771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).