[(2s)-1-[[(1r)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (CED0118490)

Record Information

Version

1.0

Creation Date

2026-08-19 10:51:36 UTC

Update Date

2026-08-19 10:51:36 UTC

Accession Number

CHEM184664

Identification

Common Name

[(2s)-1-[[(1r)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid

Class

Small Molecule

Description

[(2s)-1-[[(1r)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C15H18FN3O3S and an average molecular weight of 339.40 g/mol. It has been found in or released from two recorded sources, specifically building and construction materials including floors, tents, or canopies.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₁₈FN₃O₃S

Average Molecular Mass

339.400 g/mol

Monoisotopic Mass

339.105 g/mol

CAS Registry Number

413615-35-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C15H18FN3O3S/c1-7(2)12(19-15(21)22)13(20)17-8(3)14-18-10-5-4-9(16)6-11(10)23-14/h4-8,12,19H,1-3H3,(H,17,20)(H,21,22)/t8-,12+/m1/s1

InChI Key

VVSLYIKSEBPRSN-PELKAZGASA-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
711.0	Log mg/kg	[400:1300]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
497	Floors	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	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	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	282.904
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	Q9GME2	Callithrix jacchus	Predicted (SEA)	6.53933
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q6R5A3	Cavia porcellus	Predicted (SEA)	14.4021
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	841.083
Click to view 3D structure	Tumor necrosis factor	P01375	Humans	Predicted (SEA)	110.779
Click to view 3D structure	Caspase-3	P42574	Humans	Predicted (SEA)	311.163
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	969.768
Click to view 3D structure	Branched-chain alpha-ketoacid dehydrogenase kinase	O55028	Mus musculus	Predicted (SEA)	2.88042
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	1975.03
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	450.825
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	2434.35
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	3644.12
Click to view 3D structure	Amine oxidase [flavin-containing] A	Q6Q2J0	Sus scrofa	Predicted (SEA)	37.0562
Click to view 3D structure	Endothelial lipase	Q9Y5X9	Humans	Predicted (SEA)	9.809
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	2355.87
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	4149.67
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	1286.46
Click to view 3D structure	Scytalone dehydratase	P56221	Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae)	Predicted (SEA)	17.7496
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	1075.18
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 2	P37059	Humans	Predicted (SEA)	91.0057
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	574.06
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	1040.07
Click to view 3D structure	Neuronal calcium sensor 1	P62166	Humans	Predicted (SEA)	53.3267
Click to view 3D structure	Frequenin-2	Q9VWX8	Drosophila melanogaster	Predicted (SEA)	53.3267
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1209.47