2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

C11H14N6OS2 — CID 6472347

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCSc1n[nH]c(NC(=O)CSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C11H14N6OS2/c1-6-4-7(2)13-10(12-6)20-5-8(18)14-9-15-11(19-3)17-16-9/h4H,5H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyYHXXNLGVMLXVJF-UHFFFAOYSA-N
MW310.41 g/mol
LogP1.66
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 6472347) has the molecular formula C11H14N6OS2 and a molecular weight of 310.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID6472347
Molecular FormulaC11H14N6OS2
Molecular Weight310.41 g/mol
Exact Mass310.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCSc1n[nH]c(NC(=O)CSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C11H14N6OS2/c1-6-4-7(2)13-10(12-6)20-5-8(18)14-9-15-11(19-3)17-16-9/h4H,5H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyYHXXNLGVMLXVJF-UHFFFAOYSA-N
XLogP1.66
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide (CID 6472347) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is CSc1n[nH]c(NC(=O)CSc2nc(C)cc(C)n2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is YHXXNLGVMLXVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS2/c1-6-4-7(2)13-10(12-6)20-5-8(18)14-9-15-11(19-3)17-16-9/h4H,5H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 310.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 6472347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).