2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C12H16N4O2S — CID 80742497

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(O)c1cn(CC(=O)N(C)Cc2cccs2)nn1
InChIInChI=1S/C12H16N4O2S/c1-9(17)11-7-16(14-13-11)8-12(18)15(2)6-10-4-3-5-19-10/h3-5,7,9,17H,6,8H2,1-2H3
InChIKeyHSYZNELZTYTDQE-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.05
Rot. Bonds5

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 80742497) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID80742497
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(O)c1cn(CC(=O)N(C)Cc2cccs2)nn1
InChIInChI=1S/C12H16N4O2S/c1-9(17)11-7-16(14-13-11)8-12(18)15(2)6-10-4-3-5-19-10/h3-5,7,9,17H,6,8H2,1-2H3
InChIKeyHSYZNELZTYTDQE-UHFFFAOYSA-N
XLogP1.05
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 80742497) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CC(O)c1cn(CC(=O)N(C)Cc2cccs2)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HSYZNELZTYTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9(17)11-7-16(14-13-11)8-12(18)15(2)6-10-4-3-5-19-10/h3-5,7,9,17H,6,8H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 80742497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).