methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate

C9H9N3O4S2 — CID 142419909

IUPACmethyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(c2ccns2)=NS(=O)(=O)N1C
InChIInChI=1S/C9H9N3O4S2/c1-12-7(9(13)16-2)5-6(11-18(12,14)15)8-3-4-10-17-8/h3-5H,1-2H3
InChIKeyKGIMDYWIQCEUQG-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.18
Rot. Bonds2

About methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate

methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate (PubChem CID 142419909) has the molecular formula C9H9N3O4S2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate
PubChem CID142419909
Molecular FormulaC9H9N3O4S2
Molecular Weight287.32 g/mol
Exact Mass287.00
IUPAC Namemethyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(c2ccns2)=NS(=O)(=O)N1C
InChIInChI=1S/C9H9N3O4S2/c1-12-7(9(13)16-2)5-6(11-18(12,14)15)8-3-4-10-17-8/h3-5H,1-2H3
InChIKeyKGIMDYWIQCEUQG-UHFFFAOYSA-N
XLogP0.18
TPSA88.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate?
The IUPAC name of methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate (CID 142419909) is methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate is COC(=O)C1=CC(c2ccns2)=NS(=O)(=O)N1C.
What is the InChIKey of methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate?
The InChIKey is KGIMDYWIQCEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S2/c1-12-7(9(13)16-2)5-6(11-18(12,14)15)8-3-4-10-17-8/h3-5H,1-2H3.
What are the key properties of methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate?
methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,1-dioxo-5-(1,2-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate is sourced from PubChem (CID 142419909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).