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

C13H11N3O4S2 — CID 21450403

IUPAC3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide
SMILESCN1C(O)=C(C(=O)Nc2nccs2)c2ccccc2S1(=O)=O
InChIInChI=1S/C13H11N3O4S2/c1-16-12(18)10(11(17)15-13-14-6-7-21-13)8-4-2-3-5-9(8)22(16,19)20/h2-7,18H,1H3,(H,14,15,17)
InChIKeyGJANGZKPBWBHCK-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.64
Rot. Bonds2

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

3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide (PubChem CID 21450403) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide
PubChem CID21450403
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC Name3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide
SMILESCN1C(O)=C(C(=O)Nc2nccs2)c2ccccc2S1(=O)=O
InChIInChI=1S/C13H11N3O4S2/c1-16-12(18)10(11(17)15-13-14-6-7-21-13)8-4-2-3-5-9(8)22(16,19)20/h2-7,18H,1H3,(H,14,15,17)
InChIKeyGJANGZKPBWBHCK-UHFFFAOYSA-N
XLogP1.64
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide?
The IUPAC name of 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide (CID 21450403) is 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide is CN1C(O)=C(C(=O)Nc2nccs2)c2ccccc2S1(=O)=O.
What is the InChIKey of 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide?
The InChIKey is GJANGZKPBWBHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-16-12(18)10(11(17)15-13-14-6-7-21-13)8-4-2-3-5-9(8)22(16,19)20/h2-7,18H,1H3,(H,14,15,17).
What are the key properties of 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide?
3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide is sourced from PubChem (CID 21450403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).