[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

C67H62F6N10O3S2 — CID 87460097

IUPAC[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCCn1c(-c2csc(C3CCN(C(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)CC3)n2)nc(-c2ccccn2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2ccccn2)c1C
InChIInChI=1S/C34H32F3N5O2S.C33H30F3N5OS/c1-4-42-22(3)30(27-10-5-6-17-38-27)40-31(42)28-20-45-32(39-28)24-15-18-41(19-16-24)33(43)26-9-7-8-21(2)29(26)23-11-13-25(14-12-23)44-34(35,36)37;1-3-41-21(2)29(27-10-6-7-17-37-27)39-30(41)28-20-43-31(38-28)23-15-18-40(19-16-23)32(42)26-9-5-4-8-25(26)22-11-13-24(14-12-22)33(34,35)36/h5-14,17,20,24H,4,15-16,18-19H2,1-3H3;4-14,17,20,23H,3,15-16,18-19H2,1-2H3
InChIKeyMAHCPOZBDXTEKV-UHFFFAOYSA-N
MW1233.42 g/mol
LogP16.39
Rot. Bonds13

About [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone

[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 87460097) has the molecular formula C67H62F6N10O3S2 and a molecular weight of 1233.42 g/mol. Its IUPAC name is [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID87460097
Molecular FormulaC67H62F6N10O3S2
Molecular Weight1233.42 g/mol
Exact Mass1232.44
IUPAC Name[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCCn1c(-c2csc(C3CCN(C(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)CC3)n2)nc(-c2ccccn2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2ccccn2)c1C
InChIInChI=1S/C34H32F3N5O2S.C33H30F3N5OS/c1-4-42-22(3)30(27-10-5-6-17-38-27)40-31(42)28-20-45-32(39-28)24-15-18-41(19-16-24)33(43)26-9-7-8-21(2)29(26)23-11-13-25(14-12-23)44-34(35,36)37;1-3-41-21(2)29(27-10-6-7-17-37-27)39-30(41)28-20-43-31(38-28)23-15-18-40(19-16-23)32(42)26-9-5-4-8-25(26)22-11-13-24(14-12-22)33(34,35)36/h5-14,17,20,24H,4,15-16,18-19H2,1-3H3;4-14,17,20,23H,3,15-16,18-19H2,1-2H3
InChIKeyMAHCPOZBDXTEKV-UHFFFAOYSA-N
XLogP16.39
TPSA137.05 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001233.42
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone with MolForge

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Related Compounds

[4-[4-(1-Ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone
CID 68454606
[4-[4-(1-Ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone
CID 68457183
[4-[4-(1-Ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-3-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 87459741
N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 158524932
8-(6-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(5-methyl-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyrimidin-5-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-8-[2-(trifluoromethyl)-4-pyridinyl]isoquinolin-1-one
CID 160516193
N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(butylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 163780760
[4-[4-(1-Ethyl-5-methyl-4-phenylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-methyl-6-[4-(trifluoromethoxy)phenyl]phenyl]methanone
CID 16050144
2-methyl-N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]benzamide
CID 155997747
4-Tert-butyl-1-methyl-2-propan-2-ylpyrrole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
CID 157180046
2-Methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene
CID 157462105
1,2,4,5-tetramethylimidazole;1,2,4-trimethylbenzene;(3S,4S)-1,3,4-trimethylcyclopentene;2,3,5-trimethylfuran;2,3,5-trimethylpyridine;2,3,6-trimethylpyridine;2,4,5-trimethylpyridine;1,2,4-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene
CID 157508879
4-Tert-butyl-1-methyl-2-propan-2-ylpyrrole;4-tert-butyl-2-propan-2-yl-1,3-thiazole;5-tert-butyl-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;1-methyl-2,4-di(propan-2-yl)imidazole;1-methyl-2,4-di(propan-2-yl)pyrrole;1-methyl-2-propan-2-yl-4-(4-propan-2-ylphenyl)pyrrole
CID 157664741

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 87460097) is [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is CCn1c(-c2csc(C3CCN(C(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)CC3)n2)nc(-c2ccccn2)c1C.CCn1c(-c2csc(C3CCN(C(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)CC3)n2)nc(-c2ccccn2)c1C.
What is the InChIKey of [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is MAHCPOZBDXTEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N5O2S.C33H30F3N5OS/c1-4-42-22(3)30(27-10-5-6-17-38-27)40-31(42)28-20-45-32(39-28)24-15-18-41(19-16-24)33(43)26-9-7-8-21(2)29(26)23-11-13-25(14-12-23)44-34(35,36)37;1-3-41-21(2)29(27-10-6-7-17-37-27)39-30(41)28-20-43-31(38-28)23-15-18-40(19-16-23)32(42)26-9-5-4-8-25(26)22-11-13-24(14-12-22)33(34,35)36/h5-14,17,20,24H,4,15-16,18-19H2,1-3H3;4-14,17,20,23H,3,15-16,18-19H2,1-2H3.
What are the key properties of [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone?
[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 1233.42 g/mol, XLogP of 16.39, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[3-methyl-2-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[4-[4-(1-ethyl-5-methyl-4-pyridin-2-ylimidazol-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 87460097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).