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

C13H11N3O4S2 — CID 54690657

IUPAC4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)s1
InChIInChI=1S/C13H11N3O4S2/c1-7-6-14-13(21-7)15-12(18)10-11(17)8-4-2-3-5-9(8)22(19,20)16-10/h2-6,16-17H,1H3,(H,14,15,18)
InChIKeyINYLJXGSWGWXFU-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.61
Rot. Bonds2

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

4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54690657) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54690657
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC Name4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)s1
InChIInChI=1S/C13H11N3O4S2/c1-7-6-14-13(21-7)15-12(18)10-11(17)8-4-2-3-5-9(8)22(19,20)16-10/h2-6,16-17H,1H3,(H,14,15,18)
InChIKeyINYLJXGSWGWXFU-UHFFFAOYSA-N
XLogP1.61
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide (CID 54690657) is 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)s1.
What is the InChIKey of 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is INYLJXGSWGWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-7-6-14-13(21-7)15-12(18)10-11(17)8-4-2-3-5-9(8)22(19,20)16-10/h2-6,16-17H,1H3,(H,14,15,18).
What are the key properties of 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54690657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).