4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide

C18H15N3O4S2 — CID 54695926

IUPAC4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3ccc4ccccc4c3S(=O)(=O)N2C)s1
InChIInChI=1S/C18H15N3O4S2/c1-10-9-19-18(26-10)20-17(23)14-15(22)13-8-7-11-5-3-4-6-12(11)16(13)27(24,25)21(14)2/h3-9,22H,1-2H3,(H,19,20,23)
InChIKeyRRJNDFVLWNZEGF-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.10
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide (PubChem CID 54695926) has the molecular formula C18H15N3O4S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide
PubChem CID54695926
Molecular FormulaC18H15N3O4S2
Molecular Weight401.47 g/mol
Exact Mass401.05
IUPAC Name4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3ccc4ccccc4c3S(=O)(=O)N2C)s1
InChIInChI=1S/C18H15N3O4S2/c1-10-9-19-18(26-10)20-17(23)14-15(22)13-8-7-11-5-3-4-6-12(11)16(13)27(24,25)21(14)2/h3-9,22H,1-2H3,(H,19,20,23)
InChIKeyRRJNDFVLWNZEGF-UHFFFAOYSA-N
XLogP3.10
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide (CID 54695926) is 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2=C(O)c3ccc4ccccc4c3S(=O)(=O)N2C)s1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide?
The InChIKey is RRJNDFVLWNZEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S2/c1-10-9-19-18(26-10)20-17(23)14-15(22)13-8-7-11-5-3-4-6-12(11)16(13)27(24,25)21(14)2/h3-9,22H,1-2H3,(H,19,20,23).
What are the key properties of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.10, 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-1,3-thiazol-2-yl)-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide is sourced from PubChem (CID 54695926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).