ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate

C25H24F3N3O4S — CID 130434235

IUPACethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2(O)CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C25H24F3N3O4S/c1-2-35-21(32)20-19(16-6-4-3-5-7-16)30-22(36-20)24(34)12-14-31(15-13-24)23(33)29-18-10-8-17(9-11-18)25(26,27)28/h3-11,34H,2,12-15H2,1H3,(H,29,33)
InChIKeyICOFMNARLAUETE-UHFFFAOYSA-N
MW519.55 g/mol
LogP5.52
Rot. Bonds5

About ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 130434235) has the molecular formula C25H24F3N3O4S and a molecular weight of 519.55 g/mol. Its IUPAC name is ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID130434235
Molecular FormulaC25H24F3N3O4S
Molecular Weight519.55 g/mol
Exact Mass519.14
IUPAC Nameethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2(O)CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C25H24F3N3O4S/c1-2-35-21(32)20-19(16-6-4-3-5-7-16)30-22(36-20)24(34)12-14-31(15-13-24)23(33)29-18-10-8-17(9-11-18)25(26,27)28/h3-11,34H,2,12-15H2,1H3,(H,29,33)
InChIKeyICOFMNARLAUETE-UHFFFAOYSA-N
XLogP5.52
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.55
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121349369
ethyl 4-(4-phenoxyphenyl)-2-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate
CID 130434240
4-fluoro-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121349382
4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121349399
4-(5-isocyano-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 140718337
ethyl 2-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 156828643
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
ethyl 2-[(4-tert-butylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 1311883
4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 3703846
ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
CID 135126252
ethyl 5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxylate
CID 59645334
4-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111996

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate (CID 130434235) is ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C2(O)CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is ICOFMNARLAUETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4S/c1-2-35-21(32)20-19(16-6-4-3-5-7-16)30-22(36-20)24(34)12-14-31(15-13-24)23(33)29-18-10-8-17(9-11-18)25(26,27)28/h3-11,34H,2,12-15H2,1H3,(H,29,33).
What are the key properties of ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 519.55 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 130434235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).