1.0 2016-06-03 12:28:45 UTC 2026-08-19 09:18:50 UTC N-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine SmallMolecule N-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine is an organic compound with the formula C15H12N4O2S and an average molecular weight of 312.35 g/mol. N-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been found in or released from one recorded source: drinking water and water supply, specifically drinking water. The recorded exposure route for this compound is oral. C15H12N4O2S 312.35 312.068096816 N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)-2,3-dihydro-1,3-thiazol-2-imine N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)-3H-1,3-thiazol-2-imine 1048007-94-8 CC1=C(C=C(C=C1)N(=O)=O)N=C1NC(=CS1)C1=CN=CC=C1 InChI=1S/C15H12N4O2S/c1-10-4-5-12(19(20)21)7-13(10)17-15-18-14(9-22-15)11-3-2-6-16-8-11/h2-9H,1H3,(H,17,18) SDDODIFTQFSODB-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Nitrobenzenes Nitrobenzenes 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Aniline and substituted anilines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Nitroaromatic compounds Nitrotoluenes Organic oxides Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyridines and derivatives Secondary amines 1,3-thiazol-2-amine 2,4-disubstituted 1,3-thiazole Allyl-type 1,3-dipolar organic compound Amine Aniline or substituted anilines Aromatic heteromonocyclic compound Azacycle Azole C-nitro compound Heteroaromatic compound Hydrocarbon derivative Nitroaromatic compound Nitrobenzene Nitrotoluene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyridine Secondary amine Thiazole Toluene Aromatic heteromonocyclic compounds Detected and Not Quantified logp 3.6 logp 3.01 ALOGPS logs -3.93 ALOGPS solubility 3.67e-02 g/l ALOGPS logp 3.07 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic 3.58 ChemAxon iupac N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)-2,3-dihydro-1,3-thiazol-2-imine ChemAxon average_mass 312.35 ChemAxon mono_mass 312.068096816 ChemAxon smiles CC1=C(C=C(C=C1)N(=O)=O)N=C1NC(=CS1)C1=CN=CC=C1 ChemAxon formula C15H12N4O2S ChemAxon inchi InChI=1S/C15H12N4O2S/c1-10-4-5-12(19(20)21)7-13(10)17-15-18-14(9-22-15)11-3-2-6-16-8-11/h2-9H,1H3,(H,17,18) ChemAxon inchikey SDDODIFTQFSODB-UHFFFAOYSA-N ChemAxon polar_surface_area 83.1 ChemAxon refractivity 89.57 ChemAxon polarizability 31.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227c05f08> 44249597 24609216