(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid

C17H17F3N2O3S — CID 135091194

IUPAC(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[C@H]1O
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)11-3-1-10(2-4-11)15-21-12(9-26-15)7-22-6-5-14(23)13(8-22)16(24)25/h1-4,9,13-14,23H,5-8H2,(H,24,25)/t13-,14+/m0/s1
InChIKeyZLALJXIBIOCQNP-UONOGXRCSA-N
MW386.40 g/mol
LogP3.10
Rot. Bonds4

About (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid

(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 135091194) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
PubChem CID135091194
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[C@H]1O
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)11-3-1-10(2-4-11)15-21-12(9-26-15)7-22-6-5-14(23)13(8-22)16(24)25/h1-4,9,13-14,23H,5-8H2,(H,24,25)/t13-,14+/m0/s1
InChIKeyZLALJXIBIOCQNP-UONOGXRCSA-N
XLogP3.10
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
CID 120913071
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
1-pyrrolidin-1-yl-2-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 24628228
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37376323
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
1-[4-(2-aminoethyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 166241022
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55512787
1-(2,6-dimethylmorpholin-4-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 46514456

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid (CID 135091194) is (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC[C@H]1O.
What is the InChIKey of (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is ZLALJXIBIOCQNP-UONOGXRCSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c18-17(19,20)11-3-1-10(2-4-11)15-21-12(9-26-15)7-22-6-5-14(23)13(8-22)16(24)25/h1-4,9,13-14,23H,5-8H2,(H,24,25)/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid?
(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 135091194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).