2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide

C12H17N5OS — CID 66215249

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCNCc1cn(CC(=O)NC(C)c2cccs2)nn1
InChIInChI=1S/C12H17N5OS/c1-9(11-4-3-5-19-11)14-12(18)8-17-7-10(6-13-2)15-16-17/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,18)
InChIKeyPRYBAPVSZGMWQO-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.94
Rot. Bonds6

About 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide

2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 66215249) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID66215249
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCNCc1cn(CC(=O)NC(C)c2cccs2)nn1
InChIInChI=1S/C12H17N5OS/c1-9(11-4-3-5-19-11)14-12(18)8-17-7-10(6-13-2)15-16-17/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,18)
InChIKeyPRYBAPVSZGMWQO-UHFFFAOYSA-N
XLogP0.94
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
CID 115459676
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214231
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-(3-methylphenyl)ethyl]acetamide
CID 115460197
N-[1-(furan-2-yl)ethyl]-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62401318

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide (CID 66215249) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide is CNCc1cn(CC(=O)NC(C)c2cccs2)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is PRYBAPVSZGMWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9(11-4-3-5-19-11)14-12(18)8-17-7-10(6-13-2)15-16-17/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,18).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 66215249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).