2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C11H14N4O2S — CID 75391003

IUPAC2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)Cn1ncn(C)c1=O)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-8(9-4-3-5-18-9)13-10(16)6-15-11(17)14(2)7-12-15/h3-5,7-8H,6H2,1-2H3,(H,13,16)
InChIKeyPVMYIVPFSOJEFU-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.52
Rot. Bonds4

About 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 75391003) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID75391003
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)Cn1ncn(C)c1=O)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-8(9-4-3-5-18-9)13-10(16)6-15-11(17)14(2)7-12-15/h3-5,7-8H,6H2,1-2H3,(H,13,16)
InChIKeyPVMYIVPFSOJEFU-UHFFFAOYSA-N
XLogP0.52
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 75391003) is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)Cn1ncn(C)c1=O)c1cccs1.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is PVMYIVPFSOJEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8(9-4-3-5-18-9)13-10(16)6-15-11(17)14(2)7-12-15/h3-5,7-8H,6H2,1-2H3,(H,13,16).
What are the key properties of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 75391003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).