2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole

C13H11BrN4OS — CID 55426091

IUPAC2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole
SMILESBrc1cccc(OCCn2nnc(-c3ccsc3)n2)c1
InChIInChI=1S/C13H11BrN4OS/c14-11-2-1-3-12(8-11)19-6-5-18-16-13(15-17-18)10-4-7-20-9-10/h1-4,7-9H,5-6H2
InChIKeyGUHDXUALDNRHNC-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole

2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole (PubChem CID 55426091) has the molecular formula C13H11BrN4OS and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole
PubChem CID55426091
Molecular FormulaC13H11BrN4OS
Molecular Weight351.23 g/mol
Exact Mass349.98
IUPAC Name2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole
SMILESBrc1cccc(OCCn2nnc(-c3ccsc3)n2)c1
InChIInChI=1S/C13H11BrN4OS/c14-11-2-1-3-12(8-11)19-6-5-18-16-13(15-17-18)10-4-7-20-9-10/h1-4,7-9H,5-6H2
InChIKeyGUHDXUALDNRHNC-UHFFFAOYSA-N
XLogP3.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-bromophenoxy)ethyl]-5-(4-fluorophenyl)tetrazole
CID 7465856
2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
CID 112769919
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7823968
1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol
CID 116799367
(1S)-1-(3-chlorophenyl)-2-(5-thiophen-3-yltetrazol-2-yl)ethanol
CID 99838626
2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
CID 177376627
1-[2-(3-bromophenoxy)ethyl]triazole-4-carboxylic acid
CID 43151006
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole?
The IUPAC name of 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole (CID 55426091) is 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole is Brc1cccc(OCCn2nnc(-c3ccsc3)n2)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole?
The InChIKey is GUHDXUALDNRHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4OS/c14-11-2-1-3-12(8-11)19-6-5-18-16-13(15-17-18)10-4-7-20-9-10/h1-4,7-9H,5-6H2.
What are the key properties of 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole?
2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole has a molecular weight of 351.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethyl]-5-thiophen-3-yltetrazole is sourced from PubChem (CID 55426091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).