Thiamine indole-3-propionate

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate chloride

Also Known As: Thiamine indole-3-propionate|TI-3-P|thiamineindole-3-propionate|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate;chloride|3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[3-(1h-indol-3-yl)propanoyl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride|Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-(3-(1H-indol-3-yl)-1-oxopropoxy)ethyl)-4-methyl-, perchlorate, monoperchlorate, compd. with methanol (1:1)|2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate chloride|3-[(6-Imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-5-(2-{[3-(1H-indol-3-yl)propanoyl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride

Molecular Formula	C23H26ClN5O2S
Molecular Weight	471.14957 g/mol
LogP	0.27674
Topological Polar Surface Area	126.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	471.14957
Monoisotopic Mass	471.14957
Heavy Atoms	32
Complexity	596.0

Chemical Identifiers

CAS Number	892-29-5
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)CCC3=CNC4=CC=CC=C43.[Cl-]
InChIKey	KRXFUVUEJRVANS-UHFFFAOYSA-M