2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide

C14H13N3O4S — CID 13228462

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=Cc3ccccc3S(=O)(=O)N2C)no1
InChIInChI=1S/C14H13N3O4S/c1-9-7-13(16-21-9)15-14(18)11-8-10-5-3-4-6-12(10)22(19,20)17(11)2/h3-8H,1-2H3,(H,15,16,18)
InChIKeyYWXSCVWEJBLKTK-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.60
Rot. Bonds2

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide (PubChem CID 13228462) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
PubChem CID13228462
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=Cc3ccccc3S(=O)(=O)N2C)no1
InChIInChI=1S/C14H13N3O4S/c1-9-7-13(16-21-9)15-14(18)11-8-10-5-3-4-6-12(10)22(19,20)17(11)2/h3-8H,1-2H3,(H,15,16,18)
InChIKeyYWXSCVWEJBLKTK-UHFFFAOYSA-N
XLogP1.60
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-1lambda6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide (CID 13228462) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide is Cc1cc(NC(=O)C2=Cc3ccccc3S(=O)(=O)N2C)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide?
The InChIKey is YWXSCVWEJBLKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-9-7-13(16-21-9)15-14(18)11-8-10-5-3-4-6-12(10)22(19,20)17(11)2/h3-8H,1-2H3,(H,15,16,18).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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-1lambda6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 13228462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).