2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C9H9N5O2S2 — CID 135473895

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nccs2)[nH]c1=O
InChIInChI=1S/C9H9N5O2S2/c1-5-7(16)12-9(14-13-5)18-4-6(15)11-8-10-2-3-17-8/h2-3H,4H2,1H3,(H,10,11,15)(H,12,14,16)
InChIKeyLFAPHVROMSKBIF-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.66
Rot. Bonds4

About 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135473895) has the molecular formula C9H9N5O2S2 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135473895
Molecular FormulaC9H9N5O2S2
Molecular Weight283.34 g/mol
Exact Mass283.02
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nccs2)[nH]c1=O
InChIInChI=1S/C9H9N5O2S2/c1-5-7(16)12-9(14-13-5)18-4-6(15)11-8-10-2-3-17-8/h2-3H,4H2,1H3,(H,10,11,15)(H,12,14,16)
InChIKeyLFAPHVROMSKBIF-UHFFFAOYSA-N
XLogP0.66
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 135473895) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nnc(SCC(=O)Nc2nccs2)[nH]c1=O.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LFAPHVROMSKBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S2/c1-5-7(16)12-9(14-13-5)18-4-6(15)11-8-10-2-3-17-8/h2-3H,4H2,1H3,(H,10,11,15)(H,12,14,16).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 283.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135473895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).