2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C11H14N4O2S — CID 55066699

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(CO)nn1
InChIInChI=1S/C11H14N4O2S/c1-14(4-9-2-3-18-8-9)11(17)6-15-5-10(7-16)12-13-15/h2-3,5,8,16H,4,6-7H2,1H3
InChIKeyGKRSLAPVYGTJPY-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.49
Rot. Bonds5

About 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 55066699) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID55066699
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(CO)nn1
InChIInChI=1S/C11H14N4O2S/c1-14(4-9-2-3-18-8-9)11(17)6-15-5-10(7-16)12-13-15/h2-3,5,8,16H,4,6-7H2,1H3
InChIKeyGKRSLAPVYGTJPY-UHFFFAOYSA-N
XLogP0.49
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 55066699) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)Cn1cc(CO)nn1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is GKRSLAPVYGTJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-14(4-9-2-3-18-8-9)11(17)6-15-5-10(7-16)12-13-15/h2-3,5,8,16H,4,6-7H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 55066699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).