1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate

C17H17ClN4O7S2 — CID 87881345

IUPAC1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate
SMILESCONC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2cc(Cl)sc21
InChIInChI=1S/C17H17ClN4O7S2/c1-9(29-17(24)21-27-3)28-14-13(16(23)20-12-6-4-5-7-19-12)22(2)31(25,26)10-8-11(18)30-15(10)14/h4-9H,1-3H3,(H,21,24)(H,19,20,23)
InChIKeyDXZMUXROOBHHLS-UHFFFAOYSA-N
MW488.93 g/mol
LogP2.39
Rot. Bonds6

About 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate

1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate (PubChem CID 87881345) has the molecular formula C17H17ClN4O7S2 and a molecular weight of 488.93 g/mol. Its IUPAC name is 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate.

Molecular Properties

Compound Name1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate
PubChem CID87881345
Molecular FormulaC17H17ClN4O7S2
Molecular Weight488.93 g/mol
Exact Mass488.02
IUPAC Name1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate
SMILESCONC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2cc(Cl)sc21
InChIInChI=1S/C17H17ClN4O7S2/c1-9(29-17(24)21-27-3)28-14-13(16(23)20-12-6-4-5-7-19-12)22(2)31(25,26)10-8-11(18)30-15(10)14/h4-9H,1-3H3,(H,21,24)(H,19,20,23)
InChIKeyDXZMUXROOBHHLS-UHFFFAOYSA-N
XLogP2.39
TPSA136.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.93
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 69171373
6-bromo-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 54717105
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] methanesulfonate
CID 12802650
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-e]thiazine-3-carboxamide
CID 54677412
1-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl]oxy]butyl hydrogen carbonate
CID 86142167
ethane;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 90963457
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl] butane-1-sulfonate
CID 20555840
1,4-dioxane;tetrakis(4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide)
CID 139145418
bis(2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-olate);piperazine-1,4-diium
CID 139146491
[2-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl]oxymethyl]phenyl] acetate
CID 151578136
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;5-methyl-6,6-dioxo-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
CID 158337805

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate?
The IUPAC name of 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate (CID 87881345) is 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate.
What is the SMILES notation for 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate?
The canonical SMILES for 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate is CONC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2cc(Cl)sc21.
What is the InChIKey of 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate?
The InChIKey is DXZMUXROOBHHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O7S2/c1-9(29-17(24)21-27-3)28-14-13(16(23)20-12-6-4-5-7-19-12)22(2)31(25,26)10-8-11(18)30-15(10)14/h4-9H,1-3H3,(H,21,24)(H,19,20,23).
What are the key properties of 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate?
1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate has a molecular weight of 488.93 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate is sourced from PubChem (CID 87881345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).