N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide (CED0180061)

Record Information

Version

1.0

Creation Date

2026-03-27 02:00:53 UTC

Update Date

2026-08-19 14:16:08 UTC

SynCED ID

CED0180061

Secondary Accession Numbers

CHEM057050

Identification

Common Name

N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide

Class

Small Molecule

Description

N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This compound has the chemical formula C16H13Cl2N5O1S1 and an average molecular weight of 394.27 g/mol. It is identified as being found in or released from drinking water and water supply, specifically drinking water. The recorded exposure route for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₁₃Cl₂N₅O₁S₁

Average Molecular Mass

394.270 g/mol

Monoisotopic Mass

393.022 g/mol

CAS Registry Number

302964-08-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(Cl)=N1

InChI Identifier

InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)

InChI Key

LMXUWARKUIELGT-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2213.0 Log mg/kg [1200:3900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available

Pathways

0 pathwaysPathway Source: PathBank

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	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.696 Applicability Domain 0.852 Statistical Significance 6.60e-04 Supporting Reference Compounds 1158 E-value 5.13805
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.695 Applicability Domain 0.852 Statistical Significance 5.70e-04 Supporting Reference Compounds 1130 E-value 4.43741
Click to view 3D structure	Tyrosine-protein kinase Lyn	P07948	Humans	Predicted (SEA)	Prediction Confidence Score 0.69 Applicability Domain 0.852 Statistical Significance 2.80e-04 Supporting Reference Compounds 666 E-value 2.17978
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.69 Applicability Domain 0.852 Statistical Significance 4.10e-04 Supporting Reference Compounds 905 E-value 3.19182
Click to view 3D structure	Tyrosine-protein kinase HCK	P08631	Humans	Predicted (SEA)	Prediction Confidence Score 0.647 Applicability Domain 0.852 Statistical Significance 2.70e-04 Supporting Reference Compounds 293 E-value 2.10193
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	Prediction Confidence Score 0.646 Applicability Domain 0.852 Statistical Significance 5.90e-04 Supporting Reference Compounds 707 E-value 4.5931
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.646 Applicability Domain 0.676 Statistical Significance 7.90e-04 Supporting Reference Compounds 927 E-value 6.15009
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.62 Applicability Domain 0.852 Statistical Significance 0.0025 Supporting Reference Compounds 1301 E-value 19.6959
Click to view 3D structure	Platelet-derived growth factor receptor beta	P09619	Humans	Predicted (SEA)	Prediction Confidence Score 0.572 Applicability Domain 0.676 Statistical Significance 0.0014 Supporting Reference Compounds 597 E-value 11.0546
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.543 Applicability Domain 0.852 Statistical Significance 0.0031 Supporting Reference Compounds 961 E-value 23.8997
Click to view 3D structure	Tyrosine-protein kinase Yes	P07947	Humans	Predicted (SEA)	Prediction Confidence Score 0.533 Applicability Domain 0.852 Statistical Significance 0.0012 Supporting Reference Compounds 219 E-value 9.26406
Click to view 3D structure	Tyrosine-protein kinase Fgr	P09769	Humans	Predicted (SEA)	Prediction Confidence Score 0.533 Applicability Domain 0.852 Statistical Significance 6.70e-04 Supporting Reference Compounds 153 E-value 5.2159
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.486 Applicability Domain 0.852 Statistical Significance 0.0139 Supporting Reference Compounds 1660 E-value 108.133
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.483 Applicability Domain 0.852 Statistical Significance 0.0076 Supporting Reference Compounds 1010 E-value 59.4768
Click to view 3D structure	Serine/threonine-protein kinase SIK2	Q9H0K1	Humans	Predicted (SEA)	Prediction Confidence Score 0.48 Applicability Domain 0.657 Statistical Significance 9.50e-04 Supporting Reference Compounds 173 E-value 7.39568
Click to view 3D structure	Serine/threonine-protein kinase SIK3	Q9Y2K2	Humans	Predicted (SEA)	Prediction Confidence Score 0.48 Applicability Domain 0.657 Statistical Significance 3.80e-04 Supporting Reference Compounds 119 E-value 2.95827
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase LCK	P06240	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.455 Applicability Domain 0.852 Statistical Significance 8.00e-05 Supporting Reference Compounds 19 E-value 0.622794
Click to view 3D structure	Mitogen-activated protein kinase 14	Q16539	Humans	Predicted (SEA)	Prediction Confidence Score 0.45 Applicability Domain 0.667 Statistical Significance 0.0071 Supporting Reference Compounds 668 E-value 55.1172
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	Prediction Confidence Score 0.45 Applicability Domain 0.852 Statistical Significance 0.009 Supporting Reference Compounds 674 E-value 70.22
Click to view 3D structure	Serine/threonine-protein kinase B-raf	P15056	Humans	Predicted (SEA)	Prediction Confidence Score 0.434 Applicability Domain 0.667 Statistical Significance 0.0055 Supporting Reference Compounds 337 E-value 42.8171
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	Prediction Confidence Score 0.43 Applicability Domain 0.667 Statistical Significance 0.0119 Supporting Reference Compounds 833 E-value 93.0298
Click to view 3D structure	Epithelial discoidin domain-containing receptor 1	Q08345	Humans	Predicted (SEA)	Prediction Confidence Score 0.429 Applicability Domain 0.667 Statistical Significance 0.0031 Supporting Reference Compounds 198 E-value 24.3668
Click to view 3D structure	Serine/threonine-protein kinase SIK1	P57059	Humans	Predicted (SEA)	Prediction Confidence Score 0.427 Applicability Domain 0.657 Statistical Significance 0.001 Supporting Reference Compounds 105 E-value 7.94062
Click to view 3D structure	Discoidin domain-containing receptor 2	Q16832	Humans	Predicted (SEA)	Prediction Confidence Score 0.425 Applicability Domain 0.667 Statistical Significance 0.0033 Supporting Reference Compounds 181 E-value 25.5345
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	Prediction Confidence Score 0.424 Applicability Domain 0.667 Statistical Significance 0.0092 Supporting Reference Compounds 519 E-value 71.777