N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

C10H13BrN4S — CID 105043665

IUPACN-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Br)c1cnnn1C
InChIInChI=1S/C10H13BrN4S/c1-3-12-9(8-6-13-14-15(8)2)10-7(11)4-5-16-10/h4-6,9,12H,3H2,1-2H3
InChIKeySJJDJSTUSYYJDZ-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.34
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 105043665) has the molecular formula C10H13BrN4S and a molecular weight of 301.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID105043665
Molecular FormulaC10H13BrN4S
Molecular Weight301.21 g/mol
Exact Mass300.00
IUPAC NameN-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Br)c1cnnn1C
InChIInChI=1S/C10H13BrN4S/c1-3-12-9(8-6-13-14-15(8)2)10-7(11)4-5-16-10/h4-6,9,12H,3H2,1-2H3
InChIKeySJJDJSTUSYYJDZ-UHFFFAOYSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-bromo-5-methylphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043552
N-[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043781
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043393
N-[1-benzothiophen-3-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043811
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55240315
N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184686
N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105172958
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
N-[(3-bromothiophen-2-yl)-(4-iodophenyl)methyl]ethanamine
CID 80535832
N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 105043665) is N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1sccc1Br)c1cnnn1C.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is SJJDJSTUSYYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4S/c1-3-12-9(8-6-13-14-15(8)2)10-7(11)4-5-16-10/h4-6,9,12H,3H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 301.21 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105043665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).