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

C15H13N3O4S2 — CID 135317757

IUPACmethyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(c2cnc(-c3ccccc3)s2)=NS(=O)(=O)N1C
InChIInChI=1S/C15H13N3O4S2/c1-18-12(15(19)22-2)8-11(17-24(18,20)21)13-9-16-14(23-13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyQUSFOFKHSQFNMM-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.85
Rot. Bonds3

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

methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate (PubChem CID 135317757) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate
PubChem CID135317757
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Namemethyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate
SMILESCOC(=O)C1=CC(c2cnc(-c3ccccc3)s2)=NS(=O)(=O)N1C
InChIInChI=1S/C15H13N3O4S2/c1-18-12(15(19)22-2)8-11(17-24(18,20)21)13-9-16-14(23-13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyQUSFOFKHSQFNMM-UHFFFAOYSA-N
XLogP1.85
TPSA88.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate?
The IUPAC name of methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate (CID 135317757) is methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate is COC(=O)C1=CC(c2cnc(-c3ccccc3)s2)=NS(=O)(=O)N1C.
What is the InChIKey of methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate?
The InChIKey is QUSFOFKHSQFNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-18-12(15(19)22-2)8-11(17-24(18,20)21)13-9-16-14(23-13)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate?
methyl 2-methyl-1,1-dioxo-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 1.85, 3 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-(2-phenyl-1,3-thiazol-5-yl)-1,2,6-thiadiazine-3-carboxylate is sourced from PubChem (CID 135317757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).