1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C15H22F3N3OS — CID 95777712

IUPAC1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC(C)c1csc([C@H]2CCCN(C(=O)CNCC(F)(F)F)C2)n1
InChIInChI=1S/C15H22F3N3OS/c1-10(2)12-8-23-14(20-12)11-4-3-5-21(7-11)13(22)6-19-9-15(16,17)18/h8,10-11,19H,3-7,9H2,1-2H3/t11-/m0/s1
InChIKeyDCFARMCWIQBXHS-NSHDSACASA-N
MW349.42 g/mol
LogP3.12
Rot. Bonds5

About 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 95777712) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID95777712
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC Name1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC(C)c1csc([C@H]2CCCN(C(=O)CNCC(F)(F)F)C2)n1
InChIInChI=1S/C15H22F3N3OS/c1-10(2)12-8-23-14(20-12)11-4-3-5-21(7-11)13(22)6-19-9-15(16,17)18/h8,10-11,19H,3-7,9H2,1-2H3/t11-/m0/s1
InChIKeyDCFARMCWIQBXHS-NSHDSACASA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096
2-(4-aminophenyl)-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 119893107
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 119186414
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95777676
2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95777671
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95777652
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95777723
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 119138147
(2S)-2-imidazol-1-yl-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777649
(2S)-2-imidazol-1-yl-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777650

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 95777712) is 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is CC(C)c1csc([C@H]2CCCN(C(=O)CNCC(F)(F)F)C2)n1.
What is the InChIKey of 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is DCFARMCWIQBXHS-NSHDSACASA-N. The full InChI is InChI=1S/C15H22F3N3OS/c1-10(2)12-8-23-14(20-12)11-4-3-5-21(7-11)13(22)6-19-9-15(16,17)18/h8,10-11,19H,3-7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 349.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 95777712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).