4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C28H25F3N4O2S — CID 91222374

IUPAC4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1sc(NC(=O)C2CN(c3ccccn3)CCC2(O)c2cccc(C(F)(F)F)c2)nc1-c1ccccc1
InChIInChI=1S/C28H25F3N4O2S/c1-18-24(19-8-3-2-4-9-19)33-26(38-18)34-25(36)22-17-35(23-12-5-6-14-32-23)15-13-27(22,37)20-10-7-11-21(16-20)28(29,30)31/h2-12,14,16,22,37H,13,15,17H2,1H3,(H,33,34,36)
InChIKeySQASWYGXRPRPAU-UHFFFAOYSA-N
MW538.60 g/mol
LogP5.89
Rot. Bonds5

About 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 91222374) has the molecular formula C28H25F3N4O2S and a molecular weight of 538.60 g/mol. Its IUPAC name is 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID91222374
Molecular FormulaC28H25F3N4O2S
Molecular Weight538.60 g/mol
Exact Mass538.17
IUPAC Name4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1sc(NC(=O)C2CN(c3ccccn3)CCC2(O)c2cccc(C(F)(F)F)c2)nc1-c1ccccc1
InChIInChI=1S/C28H25F3N4O2S/c1-18-24(19-8-3-2-4-9-19)33-26(38-18)34-25(36)22-17-35(23-12-5-6-14-32-23)15-13-27(22,37)20-10-7-11-21(16-20)28(29,30)31/h2-12,14,16,22,37H,13,15,17H2,1H3,(H,33,34,36)
InChIKeySQASWYGXRPRPAU-UHFFFAOYSA-N
XLogP5.89
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.60
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-N-cyano-5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 86766737
5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 70978559
2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 24765681
6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46202974
2-[6-(4-Hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 58429209
4-[2-[Methyl-[5-[6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]amino]propan-2-yl]benzoic acid
CID 58706473
2-[4-[[Methyl-[5-[6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]-1,3-thiazol-2-yl]amino]methyl]phenyl]acetic acid
CID 58706594
4-(3-trifluoromethyl-phenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (5-methyl-4-phenyl-thiazol-2-yl)-amide
CID 59317981
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
CID 59318061
Ethyl 4-phenyl-2-[[6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 59318106
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
CID 59318157
N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 67391202

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 91222374) is 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is Cc1sc(NC(=O)C2CN(c3ccccn3)CCC2(O)c2cccc(C(F)(F)F)c2)nc1-c1ccccc1.
What is the InChIKey of 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is SQASWYGXRPRPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O2S/c1-18-24(19-8-3-2-4-9-19)33-26(38-18)34-25(36)22-17-35(23-12-5-6-14-32-23)15-13-27(22,37)20-10-7-11-21(16-20)28(29,30)31/h2-12,14,16,22,37H,13,15,17H2,1H3,(H,33,34,36).
What are the key properties of 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 538.60 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 91222374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).