2-Pyridinecarboxamide, N-methyl-4-[[2-(methylsulfinyl)-6-benzothiazolyl]oxy]-

HCID 57725393

Notes Reactions

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Basic information

Standard SMILES: CNC(=O)c1cc(Oc2ccc3nc(S(C)=O)sc3c2)ccn1
InChIKey: NIEXOVSIEZOJBB-UHFFFAOYSA-N
Molecular formula: C15H13N3O3S2
Average molar mass: 347.4 g/mol

Names & identifiers

Preferred name: 2-Pyridinecarboxamide, N-methyl-4-[[2-(methylsulfinyl)-6-benzothiazolyl]oxy]-
IUPAC: N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide

Names & synonyms

2-Pyridinecarboxamide, N-methyl-4-[[2-(methylsulfinyl)-6-benzothiazolyl]oxy]-953770-87-14-[(2-methanesulfinyl-1,3-benzothiazol-6-yl)oxy]-N-methylpyridine-2-carboxamideSCHEMBL2676301NIEXOVSIEZOJBB-UHFFFAOYSA-NN-methyl-4-(2-(methylsulfinyl)benzo[d]thiazol-6-yloxy)picolinamide4-(2-methanesulfinyl-benzothiazol-6-yloxy)-pyridine-2-carboxylic acid methylamide

Database identifiers

PubChem CID: 57725393

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 129 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 465

Related reactions

44 records

New reaction record

HRID 110604As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 199905As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 309207As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 805865As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 818269As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 827163As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1117727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1201053As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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