[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride

C17H19ClF3N3OS — CID 71780116

IUPAC[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCc1csc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1.Cl
InChIInChI=1S/C17H18F3N3OS.ClH/c1-12-11-25-15(21-12)10-22-5-7-23(8-6-22)16(24)13-3-2-4-14(9-13)17(18,19)20;/h2-4,9,11H,5-8,10H2,1H3;1H
InChIKeyFSRWIWLUHHJMOL-UHFFFAOYSA-N
MW405.87 g/mol
LogP3.85
Rot. Bonds3

About [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride

[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride (PubChem CID 71780116) has the molecular formula C17H19ClF3N3OS and a molecular weight of 405.87 g/mol. Its IUPAC name is [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
PubChem CID71780116
Molecular FormulaC17H19ClF3N3OS
Molecular Weight405.87 g/mol
Exact Mass405.09
IUPAC Name[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
SMILESCc1csc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1.Cl
InChIInChI=1S/C17H18F3N3OS.ClH/c1-12-11-25-15(21-12)10-22-5-7-23(8-6-22)16(24)13-3-2-4-14(9-13)17(18,19)20;/h2-4,9,11H,5-8,10H2,1H3;1H
InChIKeyFSRWIWLUHHJMOL-UHFFFAOYSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.87
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
N-((4-phenylthiazol-2-yl)methyl)benzamide
CID 723245
[3,5-Bis(trifluoromethyl)phenyl]-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234935
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 3244736
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119101
N-cyclopropyl-3-fluoro-4-methyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenyl]benzamide
CID 44479933
[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 71713465
[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 5151446
1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(2-methylthiazol-4-yl)phenyl]ethane-1,2-dione
CID 24996346
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
CID 73425575
4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
CID 73504381
3-[2-[acetamido(phenyl)methyl]-1,3-thiazol-4-yl]-N,N-diethylbenzamide
CID 49795579

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride (CID 71780116) is [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The canonical SMILES for [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride is Cc1csc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1.Cl.
What is the InChIKey of [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
The InChIKey is FSRWIWLUHHJMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS.ClH/c1-12-11-25-15(21-12)10-22-5-7-23(8-6-22)16(24)13-3-2-4-14(9-13)17(18,19)20;/h2-4,9,11H,5-8,10H2,1H3;1H.
What are the key properties of [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride?
[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride has a molecular weight of 405.87 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 71780116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).