Compound C15H18IN5O2S

4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-methyl-1,3,4-thiadiazol-2-yl)azanium iodide

CAS: 69463-94-1

Molecular Formula	`C15H18IN5O2S`
Molecular Weight	459.3 g/mol
Topological Polar Surface Area	109.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	459.02258
Heavy Atoms	24
Complexity	453.0

Chemical Identifiers

CAS Number	69463-94-1
SMILES	`CC1=NN=C(S1)[NH+](CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3.[I-]`
InChIKey	`TWNYHGAAPQLPEO-UHFFFAOYSA-N`

📖 Product Overview

Compound C15H18IN5O2S (CAS: 69463-94-1) is a chemical compound with molecular formula C15H18IN5O2S and molecular weight 459.3 g/mol. Its IUPAC systematic name is 4,5-dihydro-1H-imidazol-2-yl-[2-(4-methoxyphenyl)-2-oxoethyl]-(5-methyl-1,3,4-thiadiazol-2-yl)azanium iodide. Topological Polar Surface Area 109.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 459.02258 Heavy Atoms 24 Complexity 453.0 InChI Key: TWNYHGAAPQLPEO-UHFFFAOYSA-N. SMILES: CC1=NN=C(S1)[NH+](CC(=O)C2=CC=C(C=C2)OC)C3=NCCN3.[I-].

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