4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C14H13N3O5S — CID 54677972

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IUPAC4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1
InChIInChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)
InChIKeyYYUAYBYLJSNDCX-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.48
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54677972) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54677972
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Name4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1
InChIInChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)
InChIKeyYYUAYBYLJSNDCX-UHFFFAOYSA-N
XLogP1.48
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
CID 54683806
2-ethyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
CID 54683805
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2594211
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-1,1-dioxido-2H-1,2-benzothiazin-4-yl acetate
CID 12890321
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide
CID 12890323
2-[[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfamoyl]benzoic acid
CID 12890329
4-Hydroxy-3-(5-methyl-3-isoxazolylcarbamoyl)-2H-1,2-benzothiazine 1,1-Dioxide
CID 54708150
4-Hydroxy-3-(3-isoxazolylcarbamoyl)-2-methyl-2H-1,2-benzothiazine 1,1-Dioxide
CID 54724796
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 54733670
4-hydroxy-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 54733672
N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide
CID 12890324
4-hydroxy-N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 54733669

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54677972) is 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is YYUAYBYLJSNDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19).
What are the key properties of 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54677972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).