1.0 2016-05-22 03:44:23 UTC 2026-08-18 20:18:35 UTC Nizatidine SmallMolecule Nizatidine is an organic compound with the chemical formula C12H21N5O2S2 and an average molecular weight of 331.45 g/mol. Nizatidine belongs to the thiazoles, a subclass of azoles within the organic compounds. It is classified under the superclass of organoheterocyclic compounds. In terms of pharmacological activity, the compound acts as an antagonist of the Histamine H2 receptor (HRH2). Within the category of healthcare, pharmaceuticals, and veterinary products, it is used as a drug for acid related disorders. The recorded route of exposure for this substance is oral. Nizatidine is found in or released from 16 recorded sources across various sectors. In the realm of electrical and electronic equipment, it is associated with amplifiers, antennas, auxiliary devices, communication cables or conductors, and electric hearing aids, among five other sources. In the building and construction sector, it is linked to ceilings. Additionally, it is found in household cleaning and consumer products, specifically within tobacco pipes, non electric simulated smoking devices, match receptacles or boxes, and other smoking requisites. dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine C12H21N5O2S2 331.45 331.113667284 dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine 76963-41-2 CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3 SGXXNSQHWDMGGP-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Azoles Thiazoles 2,4-disubstituted thiazoles Aralkylamines Azacyclic compounds C-nitro compounds Dialkylamines Dialkylthioethers Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Trialkylamines 2,4-disubstituted 1,3-thiazole Allyl-type 1,3-dipolar organic compound Amine Aralkylamine Aromatic heteromonocyclic compound Azacycle C-nitro compound Dialkylthioether Heteroaromatic compound Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organic zwitterion Organonitrogen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Sulfenyl compound Tertiary aliphatic amine Tertiary amine Thioether Aromatic heteromonocyclic compounds 1,3-thiazole C-nitro compound carboxamidine organic sulfide tertiary amino compound Detected and Not Quantified Nizatidine Action Pathway SMP0000233 Nizatidine H2 Anti-Histamine Action Pathway SMP0126776 Nizatidine Drug Metabolism Action Pathway SMP0143034 logp 0.77 logp 0.70 ALOGPS logs -3.93 ALOGPS solubility 3.86e-02 g/l ALOGPS logp 0.77 ChemAxon pka_strongest_basic 6.54 ChemAxon iupac dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine ChemAxon average_mass 331.45 ChemAxon mono_mass 331.113667284 ChemAxon smiles CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O ChemAxon formula C12H21N5O2S2 ChemAxon inchi InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3 ChemAxon inchikey SGXXNSQHWDMGGP-UHFFFAOYSA-N ChemAxon polar_surface_area 83.33 ChemAxon refractivity 95.84 ChemAxon polarizability 35.54 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722247a158> DB00585 3033637 2298266 BE0000112