2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide

C13H16N4O4S2 — CID 56738094

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3cccs3)NS(=O)(=O)N2C)no1
InChIInChI=1S/C13H16N4O4S2/c1-8-6-12(15-21-8)14-13(18)10-7-9(11-4-3-5-22-11)16-23(19,20)17(10)2/h3-6,9-10,16H,7H2,1-2H3,(H,14,15,18)
InChIKeyDFWYQPGKTDZGFJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.26
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 56738094) has the molecular formula C13H16N4O4S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
PubChem CID56738094
Molecular FormulaC13H16N4O4S2
Molecular Weight356.43 g/mol
Exact Mass356.06
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3cccs3)NS(=O)(=O)N2C)no1
InChIInChI=1S/C13H16N4O4S2/c1-8-6-12(15-21-8)14-13(18)10-7-9(11-4-3-5-22-11)16-23(19,20)17(10)2/h3-6,9-10,16H,7H2,1-2H3,(H,14,15,18)
InChIKeyDFWYQPGKTDZGFJ-UHFFFAOYSA-N
XLogP1.26
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide (CID 56738094) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide is Cc1cc(NC(=O)C2CC(c3cccs3)NS(=O)(=O)N2C)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is DFWYQPGKTDZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S2/c1-8-6-12(15-21-8)14-13(18)10-7-9(11-4-3-5-22-11)16-23(19,20)17(10)2/h3-6,9-10,16H,7H2,1-2H3,(H,14,15,18).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 56738094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).