1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C14H19F3N2O2S — CID 95768074

IUPAC1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCc1csc([C@@H]2CCCN(C(=O)COCC(F)(F)F)C2)n1
InChIInChI=1S/C14H19F3N2O2S/c1-2-11-8-22-13(18-11)10-4-3-5-19(6-10)12(20)7-21-9-14(15,16)17/h8,10H,2-7,9H2,1H3/t10-/m1/s1
InChIKeyCYZPKOALBSSGDS-SNVBAGLBSA-N
MW336.38 g/mol
LogP2.99
Rot. Bonds5

About 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 95768074) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID95768074
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC Name1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCc1csc([C@@H]2CCCN(C(=O)COCC(F)(F)F)C2)n1
InChIInChI=1S/C14H19F3N2O2S/c1-2-11-8-22-13(18-11)10-4-3-5-19(6-10)12(20)7-21-9-14(15,16)17/h8,10H,2-7,9H2,1H3/t10-/m1/s1
InChIKeyCYZPKOALBSSGDS-SNVBAGLBSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95768027
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95768087
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
4-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120565277
4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119183737
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119873612
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95767945
1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95768001
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 95768074) is 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CCc1csc([C@@H]2CCCN(C(=O)COCC(F)(F)F)C2)n1.
What is the InChIKey of 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is CYZPKOALBSSGDS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-2-11-8-22-13(18-11)10-4-3-5-19(6-10)12(20)7-21-9-14(15,16)17/h8,10H,2-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 336.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 95768074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).