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

C17H26Cl3N3O2S — CID 3078062

IUPAC5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride
SMILESCOc1ccccc1N1CCN(CCOc2scnc2C)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H23N3O2S.3ClH/c1-14-17(23-13-18-14)22-12-11-19-7-9-20(10-8-19)15-5-3-4-6-16(15)21-2;;;/h3-6,13H,7-12H2,1-2H3;3*1H
InChIKeyUYHOHZXLKWBUTR-UHFFFAOYSA-N
MW442.84 g/mol
LogP3.93
Rot. Bonds6

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

5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride (PubChem CID 3078062) has the molecular formula C17H26Cl3N3O2S and a molecular weight of 442.84 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride
PubChem CID3078062
Molecular FormulaC17H26Cl3N3O2S
Molecular Weight442.84 g/mol
Exact Mass441.08
IUPAC Name5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride
SMILESCOc1ccccc1N1CCN(CCOc2scnc2C)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H23N3O2S.3ClH/c1-14-17(23-13-18-14)22-12-11-19-7-9-20(10-8-19)15-5-3-4-6-16(15)21-2;;;/h3-6,13H,7-12H2,1-2H3;3*1H
InChIKeyUYHOHZXLKWBUTR-UHFFFAOYSA-N
XLogP3.93
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.84
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride?
The IUPAC name of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride (CID 3078062) is 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride.
What is the SMILES notation for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride?
The canonical SMILES for 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride is COc1ccccc1N1CCN(CCOc2scnc2C)CC1.Cl.Cl.Cl.
What is the InChIKey of 5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride?
The InChIKey is UYHOHZXLKWBUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.3ClH/c1-14-17(23-13-18-14)22-12-11-19-7-9-20(10-8-19)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]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride?
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride has a molecular weight of 442.84 g/mol, XLogP of 3.93, 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]ethoxy]-4-methyl-1,3-thiazole;trihydrochloride is sourced from PubChem (CID 3078062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).