5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride

C18H28Cl3N3OS2 — CID 24842193

IUPAC5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride
SMILESCOc1ccccc1N1CCN(CCc2sc(SC)nc2C)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H25N3OS2.3ClH/c1-14-17(24-18(19-14)23-3)8-9-20-10-12-21(13-11-20)15-6-4-5-7-16(15)22-2;;;/h4-7H,8-13H2,1-3H3;3*1H
InChIKeyBUAJSIVVHIYESV-UHFFFAOYSA-N
MW472.94 g/mol
LogP4.81
Rot. Bonds6

About 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride

5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride (PubChem CID 24842193) has the molecular formula C18H28Cl3N3OS2 and a molecular weight of 472.94 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride
PubChem CID24842193
Molecular FormulaC18H28Cl3N3OS2
Molecular Weight472.94 g/mol
Exact Mass471.07
IUPAC Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride
SMILESCOc1ccccc1N1CCN(CCc2sc(SC)nc2C)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H25N3OS2.3ClH/c1-14-17(24-18(19-14)23-3)8-9-20-10-12-21(13-11-20)15-6-4-5-7-16(15)22-2;;;/h4-7H,8-13H2,1-3H3;3*1H
InChIKeyBUAJSIVVHIYESV-UHFFFAOYSA-N
XLogP4.81
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.94
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride with MolForge

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Related Compounds

(+)-N6-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
CID 24866614
2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949690
1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiazol-4-ylmethyl}-pyrrolidin-2-one
CID 10047430
2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thio]benzothiazole
CID 24949857
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 7406147
2-[[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]thio]benzothiazole
CID 24949383
2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thio]benzothiazole
CID 24949858
4-(3-Methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
CID 73350334
4-(3-Methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrate;trihydrochloride
CID 73354844
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 42602909
Piperazine, 1-(2-methoxyphenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, trihydrochloride
CID 3021502
Phenol, 2-(4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-1-piperazinyl)-, monohydrochloride
CID 3078055

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride?
The IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride (CID 24842193) is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride.
What is the SMILES notation for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride?
The canonical SMILES for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride is COc1ccccc1N1CCN(CCc2sc(SC)nc2C)CC1.Cl.Cl.Cl.
What is the InChIKey of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride?
The InChIKey is BUAJSIVVHIYESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS2.3ClH/c1-14-17(24-18(19-14)23-3)8-9-20-10-12-21(13-11-20)15-6-4-5-7-16(15)22-2;;;/h4-7H,8-13H2,1-3H3;3*1H.
What are the key properties of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride?
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride has a molecular weight of 472.94 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole;trihydrochloride is sourced from PubChem (CID 24842193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).