4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride

C17H21ClF3N3S — CID 3021508

IUPAC4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
SMILESCc1ncsc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C17H20F3N3S.ClH/c1-13-16(24-12-21-13)5-6-22-7-9-23(10-8-22)15-4-2-3-14(11-15)17(18,19)20;/h2-4,11-12H,5-10H2,1H3;1H
InChIKeyOSHDJGFXCUAOBK-UHFFFAOYSA-N
MW391.89 g/mol
LogP4.26
Rot. Bonds4

About 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride

4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride (PubChem CID 3021508) has the molecular formula C17H21ClF3N3S and a molecular weight of 391.89 g/mol. Its IUPAC name is 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
PubChem CID3021508
Molecular FormulaC17H21ClF3N3S
Molecular Weight391.89 g/mol
Exact Mass391.11
IUPAC Name4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride
SMILESCc1ncsc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C17H20F3N3S.ClH/c1-13-16(24-12-21-13)5-6-22-7-9-23(10-8-22)15-4-2-3-14(11-15)17(18,19)20;/h2-4,11-12H,5-10H2,1H3;1H
InChIKeyOSHDJGFXCUAOBK-UHFFFAOYSA-N
XLogP4.26
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.89
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-Difluorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 2446134
1-Phenyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine
CID 6937303
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 56827347
2-(2-Propyl-4-pyridyl)-4-[3-(trifluoromethyl)phenyl]thiazole
CID 118709517
4-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-(3-methylphenyl)piperazine
CID 3744935
2-(2-Propyl-4-pyridyl)-4-[4-(trifluoromethyl)phenyl]thiazole
CID 118709516
Piperazine, 1-(2-(4-methyl-5-thiazolyl)ethyl)-4-phenyl-, dihydrochloride
CID 3021496
Piperazine, 1-(2-methylphenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, monohydrochloride
CID 3021498
Piperazine, 1-(2-(2-(ethylthio)-4-methyl-5-thiazolyl)ethyl)-4-(2-methylphenyl)-, trihydrochloride
CID 3021519
Piperazine, 1-(2-(4-methyl-2-(methylthio)-5-thiazolyl)ethyl)-4-(2-methylphenyl)-, hydrochloride, hydrate (1:3:2)
CID 24842207
4-(4-Fluorobenzyl)-1-(1,3-thiazol-4-ylmethyl)piperidine
CID 28730309
1-(3-phenylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 28953660

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride (CID 3021508) is 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride is Cc1ncsc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
The InChIKey is OSHDJGFXCUAOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3S.ClH/c1-13-16(24-12-21-13)5-6-22-7-9-23(10-8-22)15-4-2-3-14(11-15)17(18,19)20;/h2-4,11-12H,5-10H2,1H3;1H.
What are the key properties of 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride?
4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride has a molecular weight of 391.89 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 3021508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).