1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

C10H13Br2N5S — CID 107065425

IUPAC1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2N5S/c1-3-13-7(5-9-14-16-17(2)15-9)8-4-6(11)10(12)18-8/h4,7,13H,3,5H2,1-2H3
InChIKeySLVCQROBTBPOSK-UHFFFAOYSA-N
MW395.12 g/mol
LogP2.69
Rot. Bonds5

About 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107065425) has the molecular formula C10H13Br2N5S and a molecular weight of 395.12 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107065425
Molecular FormulaC10H13Br2N5S
Molecular Weight395.12 g/mol
Exact Mass392.93
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2N5S/c1-3-13-7(5-9-14-16-17(2)15-9)8-4-6(11)10(12)18-8/h4,7,13H,3,5H2,1-2H3
InChIKeySLVCQROBTBPOSK-UHFFFAOYSA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.12
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065389
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996077
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
1-(3-bromo-2-pyridinyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050879
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002266
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
CID 107050427
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 107064997
N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
CID 107065161
1-(4,5-dibromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80533934
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107065425) is 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is SLVCQROBTBPOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N5S/c1-3-13-7(5-9-14-16-17(2)15-9)8-4-6(11)10(12)18-8/h4,7,13H,3,5H2,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 395.12 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107065425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).