| 2D Structure | |
| CID | 1130 |
| IUPAC Name | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol |
| InChI | InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 |
| InChI Key | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C12H17N4OS+ |
| Molecular Weight | 265.36 |
| synonyms | ['thiamine', 'thiamin', 'vitamin B1', 'Aneurin', 'Antiberiberi factor', 'Betaxin', 'thiaminium', 'Bewon', 'thiamine(1+) ion', 'Betabion', 'Thiaminal', 'Trophite', 'Vinothiam', 'Lixa-beta', 'Vetalin S', '3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium', 'Vitamin B 1', 'Oryzanine', 'Thiamine, chloride', 'B-Amin', '2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol', '3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM', 'DTXSID2023648', 'CHEBI:33283', 'Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-chloride', 'vitaminum b1', 'vitamin-b1', '2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol', '3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium', 'B1 Vitamin', 'PureVita Vitamin B1', 'RefChem:6301', 'Thiamine HCL 100 mg', 'Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, chloride (1:1)', 'DTXCID903648', 'CHEBI:26948', 'A11DA01', '2-(3-((4-amino-2-methyl-pyrimidin-5-yl)methyl)-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl)ethanol', '200-425-3', '3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride', '59-43-8', 'Aneurine', 'Apatate Drape', 'Beivon', 'Bethiamin', 'Oryzanin', 'Thiacoat', 'Thiamine monochloride', 'Thiaminum', 'Tiamina', 'USAF CB-20', 'Vitamin b-1', 'Vitaneurin', 'X66NSO3N35', 'Thiamine ion', '70-16-6', 'Thiadoxine', 'Bequin', 'thiamine(1+)', 'Thiamine (Vit B1)', '4ABT0J945J', 'VIB', 'vitamine B1', 'THD', '3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium', 'Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-', '[3H]thiamine', '[3H]-thiamine', '[3H]vitamin B1', '1sbr', '3rlb', 'ThOH', 'Prestwick0_000631', 'Prestwick1_000631', 'Prestwick2_000631', 'Prestwick3_000631', 'bmse000274', 'TimTec1_000613', 'CHEMBL1547', 'THIAMIN; VITAMIN B1', 'UNII-4ABT0J945J', 'SCHEMBL10075', 'BSPBio_000622', 'SPBio_002841', 'BPBio1_000686', 'GTPL4628', 'GTPL4629', 'SCHEMBL22129283', 'SCHEMBL29361686', 'CHEBI:18385', 'DTXSID50220251', 'ALBB-038672', 'BDBM50373877', 'STL301841', 'AKOS000668650', 'DB00152', '2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol', '3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium', '3[(4-Amino-2-methyl-5-pyrimidinyl)-methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride', 'SMP1_000084', 'NCGC00017013-05', 'NCGC00017013-06', 'NCGC00188957-01', 'NCGC00188957-02', 'ST095175', 'NS00002759', 'C00378', 'Q83187', 'BRD-K95785345-300-14-8', 'BRD-K95785345-300-15-5', '2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan- 1-ol'] |
From Pubchem