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

C15H19F3N2O2S — CID 110016470

IUPAC(2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1O)N1CCCC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)12-8-23-13(19-12)9-3-2-6-20(7-9)14(22)10-4-1-5-11(10)21/h8-11,21H,1-7H2
InChIKeyYRLCTIACVBRGBY-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.03
Rot. Bonds2

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

(2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 110016470) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID110016470
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC Name(2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1O)N1CCCC(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)12-8-23-13(19-12)9-3-2-6-20(7-9)14(22)10-4-1-5-11(10)21/h8-11,21H,1-7H2
InChIKeyYRLCTIACVBRGBY-UHFFFAOYSA-N
XLogP3.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyclopropyl-2-hydroxy-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 164636101
1-[3-(4-Ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-difluoro-2-(1-hydroxycyclobutyl)ethanone
CID 109634962
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 109635072
2-hydroxy-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclopentane-1-carboxamide
CID 110014818
2-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]cyclopentane-1-carboxamide
CID 110014857
2-hydroxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentane-1-carboxamide
CID 110015923
2-(1-hydroxycyclopentyl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 111540769
2-(1-hydroxycyclopentyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 111541107
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 112432816
(1-Hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 121579114
6-Oxo-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]hexanoic acid
CID 121918742
(1-hydroxycyclopentyl)-[(3R)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 124569639

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 110016470) is (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is O=C(C1CCCC1O)N1CCCC(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is YRLCTIACVBRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c16-15(17,18)12-8-23-13(19-12)9-3-2-6-20(7-9)14(22)10-4-1-5-11(10)21/h8-11,21H,1-7H2.
What are the key properties of (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
(2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 348.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopentyl)-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110016470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).