1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine

C9H11BrN4S — CID 107063974

IUPAC1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2sccc2Br)nn1
InChIInChI=1S/C9H11BrN4S/c1-14-5-6(12-13-14)4-8(11)9-7(10)2-3-15-9/h2-3,5,8H,4,11H2,1H3
InChIKeyCVGRZELBEIAPKL-UHFFFAOYSA-N
MW287.19 g/mol
LogP1.88
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine

1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107063974) has the molecular formula C9H11BrN4S and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107063974
Molecular FormulaC9H11BrN4S
Molecular Weight287.19 g/mol
Exact Mass285.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2sccc2Br)nn1
InChIInChI=1S/C9H11BrN4S/c1-14-5-6(12-13-14)4-8(11)9-7(10)2-3-15-9/h2-3,5,8H,4,11H2,1H3
InChIKeyCVGRZELBEIAPKL-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821985
1-(5-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049288
1-(2-bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063908
1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064617
1-(5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064105
1-(7-bromo-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064475
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064211
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064046
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
1-(3-bromothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002274
1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048995
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107063974) is 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine is Cn1cc(CC(N)c2sccc2Br)nn1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is CVGRZELBEIAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4S/c1-14-5-6(12-13-14)4-8(11)9-7(10)2-3-15-9/h2-3,5,8H,4,11H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 287.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107063974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).