N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

C11H15BrN4S — CID 105043393

IUPACN-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Br)s1)c1cnnn1C
InChIInChI=1S/C11H15BrN4S/c1-4-13-10(8-6-14-15-16(8)3)9-5-7(2)11(12)17-9/h5-6,10,13H,4H2,1-3H3
InChIKeyZUASGBFBJGGJFN-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.65
Rot. Bonds4

About N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 105043393) has the molecular formula C11H15BrN4S and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID105043393
Molecular FormulaC11H15BrN4S
Molecular Weight315.24 g/mol
Exact Mass314.02
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(Br)s1)c1cnnn1C
InChIInChI=1S/C11H15BrN4S/c1-4-13-10(8-6-14-15-16(8)3)9-5-7(2)11(12)17-9/h5-6,10,13H,4H2,1-3H3
InChIKeyZUASGBFBJGGJFN-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105043354
N-[(2-bromo-5-methylphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043552
N-[(4,5-dimethylthiophen-2-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
CID 114213501
N-[(5-bromo-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807132
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043561
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 102804517
N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043665
N-[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043781
N-[(5-bromo-4-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79996590
N-[(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methyl]ethanamine
CID 107961140
N-[(4-bromo-2,5-difluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79981661
N-[(4,5-dibromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 80533963

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 105043393) is N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1cc(C)c(Br)s1)c1cnnn1C.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is ZUASGBFBJGGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4S/c1-4-13-10(8-6-14-15-16(8)3)9-5-7(2)11(12)17-9/h5-6,10,13H,4H2,1-3H3.
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 315.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105043393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).