1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone

C24H28F3N3O3S — CID 55673036

IUPAC1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
SMILESCC1CN(C(=O)C2CCN(C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)CC(C)O1
InChIInChI=1S/C24H28F3N3O3S/c1-15-12-30(13-16(2)33-15)23(32)18-7-9-29(10-8-18)21(31)11-20-14-34-22(28-20)17-3-5-19(6-4-17)24(25,26)27/h3-6,14-16,18H,7-13H2,1-2H3
InChIKeyJQVNRFKRZGNKHX-UHFFFAOYSA-N
MW495.57 g/mol
LogP4.25
Rot. Bonds4

About 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone

1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 55673036) has the molecular formula C24H28F3N3O3S and a molecular weight of 495.57 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
PubChem CID55673036
Molecular FormulaC24H28F3N3O3S
Molecular Weight495.57 g/mol
Exact Mass495.18
IUPAC Name1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
SMILESCC1CN(C(=O)C2CCN(C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)CC(C)O1
InChIInChI=1S/C24H28F3N3O3S/c1-15-12-30(13-16(2)33-15)23(32)18-7-9-29(10-8-18)21(31)11-20-14-34-22(28-20)17-3-5-19(6-4-17)24(25,26)27/h3-6,14-16,18H,7-13H2,1-2H3
InChIKeyJQVNRFKRZGNKHX-UHFFFAOYSA-N
XLogP4.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 46514456
1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 166241022
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080902
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080904
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
N-propyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
CID 55516393
2-(4-bromophenyl)-1-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 51942616
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 55950211
(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 135091194
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
1-pyrrolidin-1-yl-2-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 24628228

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone (CID 55673036) is 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is CC1CN(C(=O)C2CCN(C(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is JQVNRFKRZGNKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3S/c1-15-12-30(13-16(2)33-15)23(32)18-7-9-29(10-8-18)21(31)11-20-14-34-22(28-20)17-3-5-19(6-4-17)24(25,26)27/h3-6,14-16,18H,7-13H2,1-2H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone?
1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 495.57 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 55673036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).