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

C17H26Cl3N3OS — CID 3021502

IUPAC5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
SMILESCOc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H23N3OS.3ClH/c1-14-17(22-13-18-14)7-8-19-9-11-20(12-10-19)15-5-3-4-6-16(15)21-2;;;/h3-6,13H,7-12H2,1-2H3;3*1H
InChIKeySFSSVRXQLLWEAM-UHFFFAOYSA-N
MW426.84 g/mol
LogP4.09
Rot. Bonds5

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

5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride (PubChem CID 3021502) has the molecular formula C17H26Cl3N3OS and a molecular weight of 426.84 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
PubChem CID3021502
Molecular FormulaC17H26Cl3N3OS
Molecular Weight426.84 g/mol
Exact Mass425.09
IUPAC Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
SMILESCOc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H23N3OS.3ClH/c1-14-17(22-13-18-14)7-8-19-9-11-20(12-10-19)15-5-3-4-6-16(15)21-2;;;/h3-6,13H,7-12H2,1-2H3;3*1H
InChIKeySFSSVRXQLLWEAM-UHFFFAOYSA-N
XLogP4.09
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949690
2-[[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]thio]benzothiazole
CID 24949857
2-[[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]thio]benzothiazole
CID 24949383
2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thio]benzothiazole
CID 24949858
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 42602909
5-Thiazolecarboxamide, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-methyl-2-propyl-, monohydrochloride
CID 3039480
Phenol, 2-(4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-1-piperazinyl)-, monohydrochloride
CID 3078055
6-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 155521675
5-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-4,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepine
CID 155537490
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 155561895
6-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 155562463
1-[4-(2-Ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol
CID 3078081

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride?
The IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride (CID 3021502) is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride.
What is the SMILES notation for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride?
The canonical SMILES for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride is COc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl.Cl.Cl.
What is the InChIKey of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride?
The InChIKey is SFSSVRXQLLWEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.3ClH/c1-14-17(22-13-18-14)7-8-19-9-11-20(12-10-19)15-5-3-4-6-16(15)21-2;;;/h3-6,13H,7-12H2,1-2H3;3*1H.
What are the key properties of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride?
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride has a molecular weight of 426.84 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride is sourced from PubChem (CID 3021502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).