1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine

C8H9Br2N5S — CID 107969527

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2cc(Br)sc2Br)n1
InChIInChI=1S/C8H9Br2N5S/c1-15-13-7(12-14-15)3-5(11)4-2-6(9)16-8(4)10/h2,5H,3,11H2,1H3
InChIKeyOZEDARWRLWMIHG-UHFFFAOYSA-N
MW367.07 g/mol
LogP2.04
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine

1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107969527) has the molecular formula C8H9Br2N5S and a molecular weight of 367.07 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107969527
Molecular FormulaC8H9Br2N5S
Molecular Weight367.07 g/mol
Exact Mass364.89
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2cc(Br)sc2Br)n1
InChIInChI=1S/C8H9Br2N5S/c1-15-13-7(12-14-15)3-5(11)4-2-6(9)16-8(4)10/h2,5H,3,11H2,1H3
InChIKeyOZEDARWRLWMIHG-UHFFFAOYSA-N
XLogP2.04
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.07
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048405
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968448
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064809
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064883
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065432
1-(2,5-dibromothiophen-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114022144
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349
[1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066094

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107969527) is 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine is Cn1nnc(CC(N)c2cc(Br)sc2Br)n1.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is OZEDARWRLWMIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2N5S/c1-15-13-7(12-14-15)3-5(11)4-2-6(9)16-8(4)10/h2,5H,3,11H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 367.07 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107969527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).