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

C20H19N3O4S2 — CID 54695974

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide
SMILESCCc1nc(NC(=O)C2=C(O)c3ccc4ccccc4c3S(=O)(=O)N2C)sc1C
InChIInChI=1S/C20H19N3O4S2/c1-4-15-11(2)28-20(21-15)22-19(25)16-17(24)14-10-9-12-7-5-6-8-13(12)18(14)29(26,27)23(16)3/h5-10,24H,4H2,1-3H3,(H,21,22,25)
InChIKeyBDXUHPUDRXHHPC-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.67
Rot. Bonds3

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

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide (PubChem CID 54695974) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide
PubChem CID54695974
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide
SMILESCCc1nc(NC(=O)C2=C(O)c3ccc4ccccc4c3S(=O)(=O)N2C)sc1C
InChIInChI=1S/C20H19N3O4S2/c1-4-15-11(2)28-20(21-15)22-19(25)16-17(24)14-10-9-12-7-5-6-8-13(12)18(14)29(26,27)23(16)3/h5-10,24H,4H2,1-3H3,(H,21,22,25)
InChIKeyBDXUHPUDRXHHPC-UHFFFAOYSA-N
XLogP3.67
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54679479
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 59330713
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
CID 61471793
N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 89059949
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
hexanedioic acid;bis(4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide)
CID 139196156
1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide
CID 54718441
2-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylic acid
CID 131708840
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47444190
4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61477386
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide (CID 54695974) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide is CCc1nc(NC(=O)C2=C(O)c3ccc4ccccc4c3S(=O)(=O)N2C)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide?
The InChIKey is BDXUHPUDRXHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-4-15-11(2)28-20(21-15)22-19(25)16-17(24)14-10-9-12-7-5-6-8-13(12)18(14)29(26,27)23(16)3/h5-10,24H,4H2,1-3H3,(H,21,22,25).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide is sourced from PubChem (CID 54695974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).