2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide

C11H14N4O2S2 — CID 51074869

IUPAC2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CSc1nc(=O)[nH]n1C)c1cccs1
InChIInChI=1S/C11H14N4O2S2/c1-7(8-4-3-5-18-8)12-9(16)6-19-11-13-10(17)14-15(11)2/h3-5,7H,6H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyYQFREUFJOWSGCP-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.14
Rot. Bonds5

About 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide

2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 51074869) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID51074869
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CSc1nc(=O)[nH]n1C)c1cccs1
InChIInChI=1S/C11H14N4O2S2/c1-7(8-4-3-5-18-8)12-9(16)6-19-11-13-10(17)14-15(11)2/h3-5,7H,6H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyYQFREUFJOWSGCP-UHFFFAOYSA-N
XLogP1.14
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide (CID 51074869) is 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CSc1nc(=O)[nH]n1C)c1cccs1.
What is the InChIKey of 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is YQFREUFJOWSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-7(8-4-3-5-18-8)12-9(16)6-19-11-13-10(17)14-15(11)2/h3-5,7H,6H2,1-2H3,(H,12,16)(H,14,17).
What are the key properties of 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide?
2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 51074869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).