2-(3'-Iodo-4'-aminophenyl)-6-hydroxybenzothiazole

HCID 10451635

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(-c2nc3ccc(O)cc3s2)cc1I
InChIKey: KZMMPMKDMZFWGE-UHFFFAOYSA-N
Molecular formula: C13H9IN2OS
Average molar mass: 368.19 g/mol

Overview

structure in first source

Names & identifiers

Preferred name: 2-(3'-Iodo-4'-aminophenyl)-6-hydroxybenzothiazole
IUPAC: 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol

Names & synonyms

2-(3'-iodo-4'-aminophenyl)-6-hydroxybenzothiazoleRefChem:909181SCHEMBL2061130CHEMBL5850415KZMMPMKDMZFWGE-UHFFFAOYSA-NBDBM303165US10137210, Example 000252-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol

Database identifiers

PubChem CID: 10451635
ChEMBL: CHEMBL5850415

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 307

Related reactions

4 records

New reaction record

HRID 1684826As productuspto-grants-2012_04

HRID 1797770As productuspto-grants-2013_01

HRID 2039387As productuspto-grants-2013_11

HRID 2149093As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…