3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-5-(2-Hydroxyethyl)-4-Methyl-1,3-Thiazol-2(3H)-One

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Properties Simple | Detailed

Formula C12H16N4O2S
IUPAC Name 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazol-2-one
Molecular Mass 280.346 g·mol−1
Heat of Formation -243.8 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 324.1 Å 3
Surface Area 287.59 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (3h)-thiazolone, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
  • 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-(3h)-thiazolone
  • 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolin-2-one
  • 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-2(3h)-one
  • 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2-thiazolone
  • 3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
  • 4-thiazolin-2-one, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
  • thiamine thiazolone
  • thiaminthiazolone
CAS Number(s)
  • 490-82-4
InChIKey VXCONGLPCAPYEU-UHFFFAOYSA-N
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