2-(4'-Amino-3'-iodophenyl)-6-methoxybenzothiazole

HCID 10068437

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc2nc(-c3ccc(N)c(I)c3)sc2c1
InChIKey: GNPIDHOWIOQMKR-UHFFFAOYSA-N
Molecular formula: C14H11IN2OS
Average molar mass: 382.22 g/mol
Monoisotopic mass: 381.96368

Names & identifiers

Preferred name: 2-(4'-Amino-3'-iodophenyl)-6-methoxybenzothiazole
IUPAC: 2-iodo-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline

Names & synonyms

SCHEMBL2061208GNPIDHOWIOQMKR-UHFFFAOYSA-N2-(4'-amino-3'-iodophenyl)-6-methoxybenzothiazole2-(4'-amino-3'-iodophenyl)-6-methoxy benzothiazole

Database identifiers

PubChem CID: 10068437
Nikkaji: J763.775F

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 76.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 320

Related reactions

10 records

New reaction record

HRID 191928As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1234792As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1636554As productuspto-grants-2000_03

HRID 1684825As productuspto-grants-2012_04

HRID 1684826As reactantuspto-grants-2012_04

HRID 1797769As productuspto-grants-2013_01

HRID 1797770As reactantuspto-grants-2013_01

HRID 2039386As productuspto-grants-2013_11

Compound notes

Loading…