(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C16H15F3N2OS — CID 40856160

IUPAC(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H15F3N2OS/c17-16(18,19)12-7-4-8-21(9-12)15(22)13-10-23-14(20-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/t12-/m1/s1
InChIKeyRVNXLJCVKZYITQ-GFCCVEGCSA-N
MW340.37 g/mol
LogP4.22
Rot. Bonds2

About (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 40856160) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID40856160
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H15F3N2OS/c17-16(18,19)12-7-4-8-21(9-12)15(22)13-10-23-14(20-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/t12-/m1/s1
InChIKeyRVNXLJCVKZYITQ-GFCCVEGCSA-N
XLogP4.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 56811264
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95591962
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 124505736
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
(3R)-1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99623059
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51926476
N-[4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94023301
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 40856160) is (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is RVNXLJCVKZYITQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c17-16(18,19)12-7-4-8-21(9-12)15(22)13-10-23-14(20-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2/t12-/m1/s1.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 340.37 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 40856160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).