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

C9H9N3O3S2 — CID 156570374

IUPACmethyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate
SMILESCOC(=O)C1=NS(=O)NC(c2cnc(C)s2)=C1
InChIInChI=1S/C9H9N3O3S2/c1-5-10-4-8(16-5)6-3-7(9(13)15-2)12-17(14)11-6/h3-4,11H,1-2H3
InChIKeyQPRYMJWPLIFOCI-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.59
Rot. Bonds2

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

methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate (PubChem CID 156570374) has the molecular formula C9H9N3O3S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate
PubChem CID156570374
Molecular FormulaC9H9N3O3S2
Molecular Weight271.32 g/mol
Exact Mass271.01
IUPAC Namemethyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate
SMILESCOC(=O)C1=NS(=O)NC(c2cnc(C)s2)=C1
InChIInChI=1S/C9H9N3O3S2/c1-5-10-4-8(16-5)6-3-7(9(13)15-2)12-17(14)11-6/h3-4,11H,1-2H3
InChIKeyQPRYMJWPLIFOCI-UHFFFAOYSA-N
XLogP0.59
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate?
The IUPAC name of methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate (CID 156570374) is methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate.
What is the SMILES notation for methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate?
The canonical SMILES for methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate is COC(=O)C1=NS(=O)NC(c2cnc(C)s2)=C1.
What is the InChIKey of methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate?
The InChIKey is QPRYMJWPLIFOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S2/c1-5-10-4-8(16-5)6-3-7(9(13)15-2)12-17(14)11-6/h3-4,11H,1-2H3.
What are the key properties of methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate?
methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methyl-1,3-thiazol-5-yl)-1-oxo-2H-1,2,6-thiadiazine-5-carboxylate is sourced from PubChem (CID 156570374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).