2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide

C12H12N6O2S2 — CID 42536800

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
SMILESCc1nn2c(NC(=O)CSc3nccn3C)csc2nc1=O
InChIInChI=1S/C12H12N6O2S2/c1-7-10(20)15-12-18(16-7)8(5-21-12)14-9(19)6-22-11-13-3-4-17(11)2/h3-5H,6H2,1-2H3,(H,14,19)
InChIKeyRFVXSXUZZZNTMK-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.92
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide (PubChem CID 42536800) has the molecular formula C12H12N6O2S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
PubChem CID42536800
Molecular FormulaC12H12N6O2S2
Molecular Weight336.40 g/mol
Exact Mass336.05
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide
SMILESCc1nn2c(NC(=O)CSc3nccn3C)csc2nc1=O
InChIInChI=1S/C12H12N6O2S2/c1-7-10(20)15-12-18(16-7)8(5-21-12)14-9(19)6-22-11-13-3-4-17(11)2/h3-5H,6H2,1-2H3,(H,14,19)
InChIKeyRFVXSXUZZZNTMK-UHFFFAOYSA-N
XLogP0.92
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide (CID 42536800) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide is Cc1nn2c(NC(=O)CSc3nccn3C)csc2nc1=O.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide?
The InChIKey is RFVXSXUZZZNTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S2/c1-7-10(20)15-12-18(16-7)8(5-21-12)14-9(19)6-22-11-13-3-4-17(11)2/h3-5H,6H2,1-2H3,(H,14,19).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)acetamide is sourced from PubChem (CID 42536800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).