1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C10H13BrN4S — CID 104997938

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ncnn2C)sc1Br
InChIInChI=1S/C10H13BrN4S/c1-6-3-8(16-10(6)11)7(12)4-9-13-5-14-15(9)2/h3,5,7H,4,12H2,1-2H3
InChIKeyVMJPFJMVISRJIH-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.19
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997938) has the molecular formula C10H13BrN4S and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997938
Molecular FormulaC10H13BrN4S
Molecular Weight301.21 g/mol
Exact Mass300.00
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2ncnn2C)sc1Br
InChIInChI=1S/C10H13BrN4S/c1-6-3-8(16-10(6)11)7(12)4-9-13-5-14-15(9)2/h3,5,7H,4,12H2,1-2H3
InChIKeyVMJPFJMVISRJIH-UHFFFAOYSA-N
XLogP2.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997576
1-(5-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997957
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 102803970
(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317711
N-[1-(4,5-dibromothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104997493
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105159397
2-(2-methyl-1,2,4-triazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105159499
1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885
1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159432

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997938) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is Cc1cc(C(N)Cc2ncnn2C)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is VMJPFJMVISRJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4S/c1-6-3-8(16-10(6)11)7(12)4-9-13-5-14-15(9)2/h3,5,7H,4,12H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 301.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).