2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C19H21F3N2O3S — CID 46655966

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2nc(CC(=O)N3CCCC(C(F)(F)F)C3)cs2)cc1OC
InChIInChI=1S/C19H21F3N2O3S/c1-26-15-6-5-12(8-16(15)27-2)18-23-14(11-28-18)9-17(25)24-7-3-4-13(10-24)19(20,21)22/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3
InChIKeyIZQSWPQHJZDZNY-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.17
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 46655966) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID46655966
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(-c2nc(CC(=O)N3CCCC(C(F)(F)F)C3)cs2)cc1OC
InChIInChI=1S/C19H21F3N2O3S/c1-26-15-6-5-12(8-16(15)27-2)18-23-14(11-28-18)9-17(25)24-7-3-4-13(10-24)19(20,21)22/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3
InChIKeyIZQSWPQHJZDZNY-UHFFFAOYSA-N
XLogP4.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51564093
(3S)-1-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 39334602
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 139008515
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 55452896
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62797835
(3R)-1-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 9395795
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
1-[2-(aminomethyl)piperidin-1-yl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119468701
4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-N,N-diethylpiperazine-1-sulfonamide
CID 41469372
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 99786501
2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 24621472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 46655966) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is COc1ccc(-c2nc(CC(=O)N3CCCC(C(F)(F)F)C3)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is IZQSWPQHJZDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-26-15-6-5-12(8-16(15)27-2)18-23-14(11-28-18)9-17(25)24-7-3-4-13(10-24)19(20,21)22/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 414.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46655966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).