4-(7-chloro-2-(methylthio)benzo[d]thiazol-6-yloxy)-N-methylpicolinamide

HCID 57725627

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CNC(=O)c1cc(Oc2ccc3nc(SC)sc3c2Cl)ccn1
InChIKey: OJGXKUFSOMSXHZ-UHFFFAOYSA-N
Molecular formula: C15H12ClN3O2S2
Average molar mass: 365.9 g/mol

Names & identifiers

Preferred name: 4-(7-chloro-2-(methylthio)benzo[d]thiazol-6-yloxy)-N-methylpicolinamide
IUPAC: 4-[(7-chloro-2-methylsulfanyl-1,3-benzothiazol-6-yl)oxy]-N-methylpyridine-2-carboxamide

Names & synonyms

SCHEMBL2676097OJGXKUFSOMSXHZ-UHFFFAOYSA-N4-(7-chloro-2-(methylthio)benzo[d]thiazol-6-yloxy)-N methyl picolinamide4-(7-chloro-2-(methylthio)benzo[d]thiazol-6-yloxy)-N-methylpicolinamide

Database identifiers

PubChem CID: 57725627

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 118 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 432

Related reactions

7 records

New reaction record

HRID 156028As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1922270As productuspto-grants-2012_05

HRID 1922271As reactantuspto-grants-2012_05

HRID 1988473As productuspto-grants-2009_06

HRID 1988474As reactantuspto-grants-2009_06

HRID 2370562As productuspto-grants-2014_04

HRID 2370563As reactantuspto-grants-2014_04

Compound notes

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