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

C9H10N6O2S2 — CID 7196831

IUPAC2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nncc(=O)n2N)n1
InChIInChI=1S/C9H10N6O2S2/c1-5-3-18-8(12-5)13-6(16)4-19-9-14-11-2-7(17)15(9)10/h2-3H,4,10H2,1H3,(H,12,13,16)
InChIKeyFVAXJZJQWNWNKB-UHFFFAOYSA-N
MW298.35 g/mol
LogP-0.15
Rot. Bonds4

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

2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 7196831) has the molecular formula C9H10N6O2S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID7196831
Molecular FormulaC9H10N6O2S2
Molecular Weight298.35 g/mol
Exact Mass298.03
IUPAC Name2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nncc(=O)n2N)n1
InChIInChI=1S/C9H10N6O2S2/c1-5-3-18-8(12-5)13-6(16)4-19-9-14-11-2-7(17)15(9)10/h2-3H,4,10H2,1H3,(H,12,13,16)
InChIKeyFVAXJZJQWNWNKB-UHFFFAOYSA-N
XLogP-0.15
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-0.15
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-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 7196831) is 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-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-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2nncc(=O)n2N)n1.
What is the InChIKey of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FVAXJZJQWNWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2S2/c1-5-3-18-8(12-5)13-6(16)4-19-9-14-11-2-7(17)15(9)10/h2-3H,4,10H2,1H3,(H,12,13,16).
What are the key properties of 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 298.35 g/mol, XLogP of -0.15, 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-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7196831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).