4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide

C17H17N3O2S — CID 56990367

IUPAC4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide
SMILESCN1Sc2ccccc2C(CCO)=C1C(=O)Nc1ccccn1
InChIInChI=1S/C17H17N3O2S/c1-20-16(17(22)19-15-8-4-5-10-18-15)13(9-11-21)12-6-2-3-7-14(12)23-20/h2-8,10,21H,9,11H2,1H3,(H,18,19,22)
InChIKeyYJSMGWAXLZLVLK-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide

4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide (PubChem CID 56990367) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide
PubChem CID56990367
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide
SMILESCN1Sc2ccccc2C(CCO)=C1C(=O)Nc1ccccn1
InChIInChI=1S/C17H17N3O2S/c1-20-16(17(22)19-15-8-4-5-10-18-15)13(9-11-21)12-6-2-3-7-14(12)23-20/h2-8,10,21H,9,11H2,1H3,(H,18,19,22)
InChIKeyYJSMGWAXLZLVLK-UHFFFAOYSA-N
XLogP2.77
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[2-methyl-3-(pyridin-2-ylcarbamoyl)-1,2-benzothiazin-4-yl]oxy]propyl carbonate
CID 56634731
3-[[2-methyl-3-(pyridin-2-ylcarbamoyl)-1,2-benzothiazin-4-yl]oxy]propyl octyl carbonate
CID 56606901
[2-methyl-3-(pyridin-2-ylcarbamoyl)-1,2-benzothiazin-4-yl] 2-(3-fluoro-4-phenylphenyl)propanoate
CID 57043885
2-methyl-4-oxo-N-pyridin-2-yl-3H-1,2-benzothiazine-3-carboxamide
CID 54150909
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052
4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide
CID 54688181
magnesium;hydride;1,1,4-trihydroxy-2-methyl-N-pyridin-2-yl-1λ4,2-benzothiazine-3-carboxamide
CID 174276013
4-(bromomethoxy)-2-methyl-N-pyridin-2-yl-1H-isoquinoline-3-carboxamide
CID 59090993
1,4-dioxane;tetrakis(4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide)
CID 139145418
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] methanesulfonate
CID 12802650
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
CID 29097607
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide
CID 54725726

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide (CID 56990367) is 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide is CN1Sc2ccccc2C(CCO)=C1C(=O)Nc1ccccn1.
What is the InChIKey of 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide?
The InChIKey is YJSMGWAXLZLVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20-16(17(22)19-15-8-4-5-10-18-15)13(9-11-21)12-6-2-3-7-14(12)23-20/h2-8,10,21H,9,11H2,1H3,(H,18,19,22).
What are the key properties of 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide?
4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-methyl-N-pyridin-2-yl-1,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 56990367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).