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

C11H14N4O2S — CID 55067183

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)Cn1cc(CO)nn1)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-8(10-3-2-4-18-10)12-11(17)6-15-5-9(7-16)13-14-15/h2-5,8,16H,6-7H2,1H3,(H,12,17)
InChIKeyFROBHOTXRTXSCB-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.71
Rot. Bonds5

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

2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 55067183) 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-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID55067183
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)Cn1cc(CO)nn1)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-8(10-3-2-4-18-10)12-11(17)6-15-5-9(7-16)13-14-15/h2-5,8,16H,6-7H2,1H3,(H,12,17)
InChIKeyFROBHOTXRTXSCB-UHFFFAOYSA-N
XLogP0.71
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide (CID 55067183) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)Cn1cc(CO)nn1)c1cccs1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is FROBHOTXRTXSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8(10-3-2-4-18-10)12-11(17)6-15-5-9(7-16)13-14-15/h2-5,8,16H,6-7H2,1H3,(H,12,17).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 55067183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).