2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole

C32H34F3N3OS — CID 147265980

IUPAC2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)CN1CCC(c2ccccc2Oc2ncccc2Cc2nc(C(F)(F)F)c(-c3ccccc3)s2)CC1
InChIInChI=1S/C32H34F3N3OS/c1-31(2,3)21-38-18-15-22(16-19-38)25-13-7-8-14-26(25)39-30-24(12-9-17-36-30)20-27-37-29(32(33,34)35)28(40-27)23-10-5-4-6-11-23/h4-14,17,22H,15-16,18-21H2,1-3H3
InChIKeyCPMMHKJFNAUPKF-UHFFFAOYSA-N
MW565.71 g/mol
LogP8.83
Rot. Bonds7

About 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole

2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 147265980) has the molecular formula C32H34F3N3OS and a molecular weight of 565.71 g/mol. Its IUPAC name is 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID147265980
Molecular FormulaC32H34F3N3OS
Molecular Weight565.71 g/mol
Exact Mass565.24
IUPAC Name2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)CN1CCC(c2ccccc2Oc2ncccc2Cc2nc(C(F)(F)F)c(-c3ccccc3)s2)CC1
InChIInChI=1S/C32H34F3N3OS/c1-31(2,3)21-38-18-15-22(16-19-38)25-13-7-8-14-26(25)39-30-24(12-9-17-36-30)20-27-37-29(32(33,34)35)28(40-27)23-10-5-4-6-11-23/h4-14,17,22H,15-16,18-21H2,1-3H3
InChIKeyCPMMHKJFNAUPKF-UHFFFAOYSA-N
XLogP8.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.71
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
2-(Chroman-3-yl)-6-(pyridin-4-yl)benzo[d]thiazole
CID 46879639
N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293558
2-[6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]-3-pyridinyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 71560939
4-[4-(Cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709519
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213
2-(Chroman-3-yl)-6-(2-methylpyridin-4-yl)benzo[d]thiazole
CID 46879640
2-(5-Fluoro-2-methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662870
2-[[4-[[3-(2-Methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methyl]-1,3-benzothiazole
CID 86766333
Pyridine, 3-(4-(4-methoxyphenyl)-2-phenyl-5-thiazolyl)-
CID 3024899
Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(2,2,2-trifluoroethyl)-1H-pyrrol-2-yl)-
CID 3063472

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole (CID 147265980) is 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole is CC(C)(C)CN1CCC(c2ccccc2Oc2ncccc2Cc2nc(C(F)(F)F)c(-c3ccccc3)s2)CC1.
What is the InChIKey of 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CPMMHKJFNAUPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N3OS/c1-31(2,3)21-38-18-15-22(16-19-38)25-13-7-8-14-26(25)39-30-24(12-9-17-36-30)20-27-37-29(32(33,34)35)28(40-27)23-10-5-4-6-11-23/h4-14,17,22H,15-16,18-21H2,1-3H3.
What are the key properties of 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole?
2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 565.71 g/mol, XLogP of 8.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[1-(2,2-dimethylpropyl)piperidin-4-yl]phenoxy]-3-pyridinyl]methyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 147265980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).