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

C18H28Cl3N3OS — CID 67918642

IUPAC5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
SMILESCCOc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H25N3OS.3ClH/c1-3-22-17-7-5-4-6-16(17)21-12-10-20(11-13-21)9-8-18-15(2)19-14-23-18;;;/h4-7,14H,3,8-13H2,1-2H3;3*1H
InChIKeyRUJGOWROKAYPEV-UHFFFAOYSA-N
MW440.87 g/mol
LogP4.48
Rot. Bonds6

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

5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride (PubChem CID 67918642) has the molecular formula C18H28Cl3N3OS and a molecular weight of 440.87 g/mol. Its IUPAC name is 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride.

Molecular Properties

Compound Name5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
PubChem CID67918642
Molecular FormulaC18H28Cl3N3OS
Molecular Weight440.87 g/mol
Exact Mass439.10
IUPAC Name5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
SMILESCCOc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl.Cl.Cl
InChIInChI=1S/C18H25N3OS.3ClH/c1-3-22-17-7-5-4-6-16(17)21-12-10-20(11-13-21)9-8-18-15(2)19-14-23-18;;;/h4-7,14H,3,8-13H2,1-2H3;3*1H
InChIKeyRUJGOWROKAYPEV-UHFFFAOYSA-N
XLogP4.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.87
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 54061893
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 19893371
5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 75471631
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
CID 3078068
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
(3S,4R)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120762370
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
CID 142648010
1-[2-(5-ethyl-2-pyridinyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 71430224
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride?
The IUPAC name of 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride (CID 67918642) is 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride.
What is the SMILES notation for 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride?
The canonical SMILES for 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride is CCOc1ccccc1N1CCN(CCc2scnc2C)CC1.Cl.Cl.Cl.
What is the InChIKey of 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride?
The InChIKey is RUJGOWROKAYPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS.3ClH/c1-3-22-17-7-5-4-6-16(17)21-12-10-20(11-13-21)9-8-18-15(2)19-14-23-18;;;/h4-7,14H,3,8-13H2,1-2H3;3*1H.
What are the key properties of 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride?
5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride has a molecular weight of 440.87 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride is sourced from PubChem (CID 67918642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).