2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide

C28H30F3N3O3S — CID 59209391

IUPAC2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCCCCC(O)C(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3cccc(C(F)(F)F)c3)cs2)CC1
InChIInChI=1S/C28H30F3N3O3S/c1-2-3-11-24(35)27(37)34-14-12-18(13-15-34)26-33-23(17-38-26)25(36)32-22-10-5-4-9-21(22)19-7-6-8-20(16-19)28(29,30)31/h4-10,16-18,24,35H,2-3,11-15H2,1H3,(H,32,36)
InChIKeyPMMFDNMUCUVDKR-UHFFFAOYSA-N
MW545.63 g/mol
LogP6.34
Rot. Bonds8

About 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide

2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 59209391) has the molecular formula C28H30F3N3O3S and a molecular weight of 545.63 g/mol. Its IUPAC name is 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID59209391
Molecular FormulaC28H30F3N3O3S
Molecular Weight545.63 g/mol
Exact Mass545.20
IUPAC Name2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCCCCC(O)C(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3cccc(C(F)(F)F)c3)cs2)CC1
InChIInChI=1S/C28H30F3N3O3S/c1-2-3-11-24(35)27(37)34-14-12-18(13-15-34)26-33-23(17-38-26)25(36)32-22-10-5-4-9-21(22)19-7-6-8-20(16-19)28(29,30)31/h4-10,16-18,24,35H,2-3,11-15H2,1H3,(H,32,36)
InChIKeyPMMFDNMUCUVDKR-UHFFFAOYSA-N
XLogP6.34
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.63
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(butylcarbamoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 70908059
N-[2-(4-fluorophenyl)phenyl]-2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209015
butyl 4-[4-[[2-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 59209500
2-[1-(5-hydroxypentyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59210108
ethyl 4-sulfanylidene-4-[4-[4-[[2-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]butanoate
CID 59208834
ethyl 2-[[4-[4-[[2-[3-(1,1-difluoroethyl)phenyl]phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]propanoate
CID 142982709
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142983158
methyl 4-[4-[4-[[2-[3-(1,1-difluoroethyl)phenyl]phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxobutanoate
CID 142982963
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
2-[1-[(Z)-3-pyridin-4-ylprop-2-enyl]piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59208792
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-(3-phenylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982576
N-[2-[3-(1,1-difluoroethyl)phenyl]phenyl]-2-[1-[3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 142982584

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide (CID 59209391) is 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide is CCCCC(O)C(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3cccc(C(F)(F)F)c3)cs2)CC1.
What is the InChIKey of 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PMMFDNMUCUVDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N3O3S/c1-2-3-11-24(35)27(37)34-14-12-18(13-15-34)26-33-23(17-38-26)25(36)32-22-10-5-4-9-21(22)19-7-6-8-20(16-19)28(29,30)31/h4-10,16-18,24,35H,2-3,11-15H2,1H3,(H,32,36).
What are the key properties of 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide?
2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 545.63 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyhexanoyl)piperidin-4-yl]-N-[2-[3-(trifluoromethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).