2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide

C12H16N4O3S — CID 53136295

IUPAC2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc2c(c1=O)N(C)C(=O)CS2
InChIInChI=1S/C12H16N4O3S/c1-7(2)14-9(17)5-16-12(19)11-8(4-13-16)20-6-10(18)15(11)3/h4,7H,5-6H2,1-3H3,(H,14,17)
InChIKeyKNOYJDKGZFBLGN-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.16
Rot. Bonds3

About 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide

2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide (PubChem CID 53136295) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide
PubChem CID53136295
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc2c(c1=O)N(C)C(=O)CS2
InChIInChI=1S/C12H16N4O3S/c1-7(2)14-9(17)5-16-12(19)11-8(4-13-16)20-6-10(18)15(11)3/h4,7H,5-6H2,1-3H3,(H,14,17)
InChIKeyKNOYJDKGZFBLGN-UHFFFAOYSA-N
XLogP-0.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide (CID 53136295) is 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ncc2c(c1=O)N(C)C(=O)CS2.
What is the InChIKey of 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide?
The InChIKey is KNOYJDKGZFBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7(2)14-9(17)5-16-12(19)11-8(4-13-16)20-6-10(18)15(11)3/h4,7H,5-6H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide?
2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide has a molecular weight of 296.35 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 53136295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).