4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C15H15N3O4S2 — CID 54710606

IUPAC4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ncc(C)s1)=C2O
InChIInChI=1S/C15H15N3O4S2/c1-8-4-5-10-11(6-8)24(21,22)18(3)12(13(10)19)14(20)17-15-16-7-9(2)23-15/h4-7,19H,1-3H3,(H,16,17,20)
InChIKeyWZCSMILXZLIZGL-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.26
Rot. Bonds2

About 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54710606) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54710606
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC Name4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ncc(C)s1)=C2O
InChIInChI=1S/C15H15N3O4S2/c1-8-4-5-10-11(6-8)24(21,22)18(3)12(13(10)19)14(20)17-15-16-7-9(2)23-15/h4-7,19H,1-3H3,(H,16,17,20)
InChIKeyWZCSMILXZLIZGL-UHFFFAOYSA-N
XLogP2.26
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54710606) is 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is Cc1ccc2c(c1)S(=O)(=O)N(C)C(C(=O)Nc1ncc(C)s1)=C2O.
What is the InChIKey of 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is WZCSMILXZLIZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-8-4-5-10-11(6-8)24(21,22)18(3)12(13(10)19)14(20)17-15-16-7-9(2)23-15/h4-7,19H,1-3H3,(H,16,17,20).
What are the key properties of 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,7-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54710606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).