4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole

C25H24F6N2OS — CID 57282317

IUPAC4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2c2ccccc2)cs1
InChIInChI=1S/C25H24F6N2OS/c1-16-32-21(15-35-16)13-33-9-5-8-22(23(33)18-6-3-2-4-7-18)34-14-17-10-19(24(26,27)28)12-20(11-17)25(29,30)31/h2-4,6-7,10-12,15,22-23H,5,8-9,13-14H2,1H3/t22-,23?/m0/s1
InChIKeyDHZWYBHNEZPMFT-NQCNTLBGSA-N
MW514.54 g/mol
LogP7.41
Rot. Bonds6

About 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 57282317) has the molecular formula C25H24F6N2OS and a molecular weight of 514.54 g/mol. Its IUPAC name is 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID57282317
Molecular FormulaC25H24F6N2OS
Molecular Weight514.54 g/mol
Exact Mass514.15
IUPAC Name4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2c2ccccc2)cs1
InChIInChI=1S/C25H24F6N2OS/c1-16-32-21(15-35-16)13-33-9-5-8-22(23(33)18-6-3-2-4-7-18)34-14-17-10-19(24(26,27)28)12-20(11-17)25(29,30)31/h2-4,6-7,10-12,15,22-23H,5,8-9,13-14H2,1H3/t22-,23?/m0/s1
InChIKeyDHZWYBHNEZPMFT-NQCNTLBGSA-N
XLogP7.41
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.54
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 57282317) is 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2c2ccccc2)cs1.
What is the InChIKey of 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is DHZWYBHNEZPMFT-NQCNTLBGSA-N. The full InChI is InChI=1S/C25H24F6N2OS/c1-16-32-21(15-35-16)13-33-9-5-8-22(23(33)18-6-3-2-4-7-18)34-14-17-10-19(24(26,27)28)12-20(11-17)25(29,30)31/h2-4,6-7,10-12,15,22-23H,5,8-9,13-14H2,1H3/t22-,23?/m0/s1.
What are the key properties of 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 514.54 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 57282317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).