2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide

C11H15N5OS — CID 115287271

IUPAC2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCn1cnnc1CCNC(=O)C(N)c1cccs1
InChIInChI=1S/C11H15N5OS/c1-16-7-14-15-9(16)4-5-13-11(17)10(12)8-3-2-6-18-8/h2-3,6-7,10H,4-5,12H2,1H3,(H,13,17)
InChIKeyNJFMJXAHZUEIND-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.24
Rot. Bonds5

About 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide

2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 115287271) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID115287271
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCn1cnnc1CCNC(=O)C(N)c1cccs1
InChIInChI=1S/C11H15N5OS/c1-16-7-14-15-9(16)4-5-13-11(17)10(12)8-3-2-6-18-8/h2-3,6-7,10H,4-5,12H2,1H3,(H,13,17)
InChIKeyNJFMJXAHZUEIND-UHFFFAOYSA-N
XLogP0.24
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
CID 63330292
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287266
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 107905239
2-amino-N-(2-pyridin-3-ylethyl)-2-thiophen-2-ylacetamide
CID 113279110
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63775489
2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 114186154
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
CID 115287214
6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331341

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide (CID 115287271) is 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide is Cn1cnnc1CCNC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is NJFMJXAHZUEIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16-7-14-15-9(16)4-5-13-11(17)10(12)8-3-2-6-18-8/h2-3,6-7,10H,4-5,12H2,1H3,(H,13,17).
What are the key properties of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide?
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 265.34 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).