2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide

C13H19N5OS — CID 115459676

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
SMILESCCCC(NC(=O)Cn1cc(CN)nn1)c1cccs1
InChIInChI=1S/C13H19N5OS/c1-2-4-11(12-5-3-6-20-12)15-13(19)9-18-8-10(7-14)16-17-18/h3,5-6,8,11H,2,4,7,9,14H2,1H3,(H,15,19)
InChIKeyGFXGWIRNCYGBJI-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.46
Rot. Bonds7

About 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide (PubChem CID 115459676) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
PubChem CID115459676
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
SMILESCCCC(NC(=O)Cn1cc(CN)nn1)c1cccs1
InChIInChI=1S/C13H19N5OS/c1-2-4-11(12-5-3-6-20-12)15-13(19)9-18-8-10(7-14)16-17-18/h3,5-6,8,11H,2,4,7,9,14H2,1H3,(H,15,19)
InChIKeyGFXGWIRNCYGBJI-UHFFFAOYSA-N
XLogP1.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 66215249
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62816363
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
CID 113314205
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62498546
2-(5-amino-2-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 107338504
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 115459105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide (CID 115459676) is 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide is CCCC(NC(=O)Cn1cc(CN)nn1)c1cccs1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide?
The InChIKey is GFXGWIRNCYGBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-2-4-11(12-5-3-6-20-12)15-13(19)9-18-8-10(7-14)16-17-18/h3,5-6,8,11H,2,4,7,9,14H2,1H3,(H,15,19).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide is sourced from PubChem (CID 115459676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).