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

C8H8N6O2S2 — CID 7196830

IUPAC2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESNn1c(SCC(=O)Nc2nccs2)nncc1=O
InChIInChI=1S/C8H8N6O2S2/c9-14-6(16)3-11-13-8(14)18-4-5(15)12-7-10-1-2-17-7/h1-3H,4,9H2,(H,10,12,15)
InChIKeyMZIVBRMDFOBVDK-UHFFFAOYSA-N
MW284.33 g/mol
LogP-0.46
Rot. Bonds4

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

2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 7196830) has the molecular formula C8H8N6O2S2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID7196830
Molecular FormulaC8H8N6O2S2
Molecular Weight284.33 g/mol
Exact Mass284.02
IUPAC Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESNn1c(SCC(=O)Nc2nccs2)nncc1=O
InChIInChI=1S/C8H8N6O2S2/c9-14-6(16)3-11-13-8(14)18-4-5(15)12-7-10-1-2-17-7/h1-3H,4,9H2,(H,10,12,15)
InChIKeyMZIVBRMDFOBVDK-UHFFFAOYSA-N
XLogP-0.46
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 7196830) is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Nn1c(SCC(=O)Nc2nccs2)nncc1=O.
What is the InChIKey of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MZIVBRMDFOBVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2S2/c9-14-6(16)3-11-13-8(14)18-4-5(15)12-7-10-1-2-17-7/h1-3H,4,9H2,(H,10,12,15).
What are the key properties of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 284.33 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7196830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).