2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine

C12H19N5S — CID 106012253

IUPAC2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
SMILESCCc1ccc(CNCc2cn(CCN)nn2)s1
InChIInChI=1S/C12H19N5S/c1-2-11-3-4-12(18-11)8-14-7-10-9-17(6-5-13)16-15-10/h3-4,9,14H,2,5-8,13H2,1H3
InChIKeyXOKWCRIRNUPUHI-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.15
Rot. Bonds7

About 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine

2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine (PubChem CID 106012253) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
PubChem CID106012253
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine
SMILESCCc1ccc(CNCc2cn(CCN)nn2)s1
InChIInChI=1S/C12H19N5S/c1-2-11-3-4-12(18-11)8-14-7-10-9-17(6-5-13)16-15-10/h3-4,9,14H,2,5-8,13H2,1H3
InChIKeyXOKWCRIRNUPUHI-UHFFFAOYSA-N
XLogP1.15
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[[3,5-bis[[[1-(2-aminoethyl)triazol-4-yl]methylamino]methyl]-2,4,6-trimethylphenyl]methylamino]methyl]triazol-1-yl]ethanamine
CID 101168096
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-2,2,3-trimethylbutan-1-amine
CID 114100578
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
4-(2-bromoethyl)-1-[(5-ethylthiophen-2-yl)methyl]triazole
CID 62393343
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 106010807
N-[[1-[(5-chlorothiophen-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194460
1-(5-bromothiophen-2-yl)-N-[(1-tert-butyltriazol-4-yl)methyl]methanamine
CID 103398951
3-[4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268569
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
1-ethyl-4-[2-(5-ethylthiophen-2-yl)propyl]triazole
CID 112718224
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine (CID 106012253) is 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine is CCc1ccc(CNCc2cn(CCN)nn2)s1.
What is the InChIKey of 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine?
The InChIKey is XOKWCRIRNUPUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-2-11-3-4-12(18-11)8-14-7-10-9-17(6-5-13)16-15-10/h3-4,9,14H,2,5-8,13H2,1H3.
What are the key properties of 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine?
2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine has a molecular weight of 265.39 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-ethylthiophen-2-yl)methylamino]methyl]triazol-1-yl]ethanamine is sourced from PubChem (CID 106012253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).