1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone

C23H18Cl2F4N2OS — CID 3870667

IUPAC1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cc(F)ccc1C(F)(F)F)N1CCC(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1
InChIInChI=1S/C23H18Cl2F4N2OS/c24-18-4-1-14(10-19(18)25)20-12-33-22(30-20)13-5-7-31(8-6-13)21(32)11-15-9-16(26)2-3-17(15)23(27,28)29/h1-4,9-10,12-13H,5-8,11H2
InChIKeyCKWBWRAZMBEPGM-UHFFFAOYSA-N
MW517.38 g/mol
LogP7.22
Rot. Bonds4

About 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone

1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 3870667) has the molecular formula C23H18Cl2F4N2OS and a molecular weight of 517.38 g/mol. Its IUPAC name is 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone
PubChem CID3870667
Molecular FormulaC23H18Cl2F4N2OS
Molecular Weight517.38 g/mol
Exact Mass516.05
IUPAC Name1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cc(F)ccc1C(F)(F)F)N1CCC(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1
InChIInChI=1S/C23H18Cl2F4N2OS/c24-18-4-1-14(10-19(18)25)20-12-33-22(30-20)13-5-7-31(8-6-13)21(32)11-15-9-16(26)2-3-17(15)23(27,28)29/h1-4,9-10,12-13H,5-8,11H2
InChIKeyCKWBWRAZMBEPGM-UHFFFAOYSA-N
XLogP7.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.38
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 3718508
1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone
CID 3874398
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 3839677
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(4,5-dichloro-1,2-thiazol-3-yl)methanone
CID 3872371
3-(1H-benzimidazol-2-yl)-1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
CID 3738397
[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 3703071
1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 3846885
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-ethoxythiophen-2-yl)methanone
CID 3688431
1-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 3853833
1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethanone
CID 4988827
[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3800753
1-[4-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 3445283

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone (CID 3870667) is 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cc(F)ccc1C(F)(F)F)N1CCC(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)CC1.
What is the InChIKey of 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CKWBWRAZMBEPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F4N2OS/c24-18-4-1-14(10-19(18)25)20-12-33-22(30-20)13-5-7-31(8-6-13)21(32)11-15-9-16(26)2-3-17(15)23(27,28)29/h1-4,9-10,12-13H,5-8,11H2.
What are the key properties of 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 517.38 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-fluoro-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 3870667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).