1,3-benzothiazol-6-ylmethanamine (CED0218305)

Record Information

Version

1.0

Creation Date

2026-08-25 03:58:56 UTC

Update Date

2026-08-25 03:58:56 UTC

Accession Number

CHEM259281

Identification

Common Name

1,3-benzothiazol-6-ylmethanamine

Class

Small Molecule

Description

1,3-benzothiazol-6-ylmethanamine belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C8H8N2S and an average molecular weight of 164.23 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₈N₂S

Average Molecular Mass

164.230 g/mol

Monoisotopic Mass

164.041 g/mol

CAS Registry Number

499770-92-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H8N2S/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2

InChI Key

FCGXLCNBWYIEAA-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
555.0	Log mg/kg	[310:990]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
519	Electrodes	Electrical & Electronic Equipment	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
685	Ceramics	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Q9Y463	Humans	Predicted (SEA)	213.073
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	454.951
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	84.9335
Click to view 3D structure	Dual specificity protein kinase CLK1	P49759	Humans	Predicted (SEA)	162.393
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	781.84
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	571.491
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 3	O43781	Humans	Predicted (SEA)	483.599
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 4	Q9NR20	Humans	Predicted (SEA)	482.042
Click to view 3D structure	Dual specificity protein kinase CLK3	P49761	Humans	Predicted (SEA)	208.48
Click to view 3D structure	Casein kinase I isoform epsilon	P49674	Humans	Predicted (SEA)	219.613
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	1477.27
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	1159.02
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	2666.26
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	2426.33
Click to view 3D structure	TGF-beta receptor type-1	P36897	Humans	Predicted (SEA)	609.871
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	2785.6
Click to view 3D structure	Interleukin-1 receptor-associated kinase 4	Q9NWZ3	Humans	Predicted (SEA)	1932.61
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	1335.43
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	2216.21
Click to view 3D structure	Interleukin-1 receptor-associated kinase 4	Q8R4K2	Mus musculus	Predicted (SEA)	24.6782
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1008.61
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	900.015
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	2800.24
Click to view 3D structure	Lysyl oxidase homolog 2	Q9Y4K0	Humans	Predicted (SEA)	29.5827
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	2745.82