5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol

C25H24F6N2O3S — CID 123783917

IUPAC5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol
SMILESCOc1cc(Cc2sc(N3CCCCC3)nc2O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C25H24F6N2O3S/c1-35-20-11-15(12-21-22(34)32-23(37-21)33-9-3-2-4-10-33)5-8-19(20)36-14-16-6-7-17(24(26,27)28)13-18(16)25(29,30)31/h5-8,11,13,34H,2-4,9-10,12,14H2,1H3
InChIKeyLEYFVXDISFHDEY-UHFFFAOYSA-N
MW546.53 g/mol
LogP7.05
Rot. Bonds7

About 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol

5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol (PubChem CID 123783917) has the molecular formula C25H24F6N2O3S and a molecular weight of 546.53 g/mol. Its IUPAC name is 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol
PubChem CID123783917
Molecular FormulaC25H24F6N2O3S
Molecular Weight546.53 g/mol
Exact Mass546.14
IUPAC Name5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol
SMILESCOc1cc(Cc2sc(N3CCCCC3)nc2O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C25H24F6N2O3S/c1-35-20-11-15(12-21-22(34)32-23(37-21)33-9-3-2-4-10-33)5-8-19(20)36-14-16-6-7-17(24(26,27)28)13-18(16)25(29,30)31/h5-8,11,13,34H,2-4,9-10,12,14H2,1H3
InChIKeyLEYFVXDISFHDEY-UHFFFAOYSA-N
XLogP7.05
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.53
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-ol
CID 123615375
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-ol
CID 123566242
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(N-ethylanilino)-1,3-thiazol-4-ol
CID 123213926
(5E)-5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 11598996
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(4-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole;methanol
CID 143222465
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-5-methyl-2-piperazin-1-yl-1,3-thiazol-4-one
CID 163922474
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-(4-phenylpiperidin-1-yl)-1,3-thiazol-4-one
CID 163959824
methyl (Z)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-fluoroprop-2-enoate
CID 151454507
3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-methyl-N-methylsulfonylpropanamide
CID 143085852
(5E)-5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-one
CID 11512431
5-[1-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]propan-2-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 163641528
(5E)-5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 173123017

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol?
The IUPAC name of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol (CID 123783917) is 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol?
The canonical SMILES for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol is COc1cc(Cc2sc(N3CCCCC3)nc2O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol?
The InChIKey is LEYFVXDISFHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F6N2O3S/c1-35-20-11-15(12-21-22(34)32-23(37-21)33-9-3-2-4-10-33)5-8-19(20)36-14-16-6-7-17(24(26,27)28)13-18(16)25(29,30)31/h5-8,11,13,34H,2-4,9-10,12,14H2,1H3.
What are the key properties of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol?
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol has a molecular weight of 546.53 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methyl]-2-piperidin-1-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 123783917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).