(2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

C14H17F3N2O2S — CID 164636101

IUPAC(2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C([C@@H](O)C1CC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H17F3N2O2S/c15-14(16,17)10-7-22-12(18-10)9-3-5-19(6-4-9)13(21)11(20)8-1-2-8/h7-9,11,20H,1-6H2/t11-/m0/s1
InChIKeyLQWYETHJQWGUMB-NSHDSACASA-N
MW334.36 g/mol
LogP2.64
Rot. Bonds3

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

(2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 164636101) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID164636101
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC Name(2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C([C@@H](O)C1CC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H17F3N2O2S/c15-14(16,17)10-7-22-12(18-10)9-3-5-19(6-4-9)13(21)11(20)8-1-2-8/h7-9,11,20H,1-6H2/t11-/m0/s1
InChIKeyLQWYETHJQWGUMB-NSHDSACASA-N
XLogP2.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone (CID 164636101) is (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is O=C([C@@H](O)C1CC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is LQWYETHJQWGUMB-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c15-14(16,17)10-7-22-12(18-10)9-3-5-19(6-4-9)13(21)11(20)8-1-2-8/h7-9,11,20H,1-6H2/t11-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone?
(2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 334.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 164636101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).