ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate

C24H29F3N4O3S — CID 58428518

IUPACethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CC(=O)c3sc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H29F3N4O3S/c1-2-34-22(33)17-8-12-30(13-9-17)19-7-6-16(15-28-19)14-18(32)20-21(24(25,26)27)29-23(35-20)31-10-4-3-5-11-31/h6-7,15,17H,2-5,8-14H2,1H3
InChIKeyZODAGZSLLHKJQB-UHFFFAOYSA-N
MW510.58 g/mol
LogP4.75
Rot. Bonds7

About ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate

ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 58428518) has the molecular formula C24H29F3N4O3S and a molecular weight of 510.58 g/mol. Its IUPAC name is ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate
PubChem CID58428518
Molecular FormulaC24H29F3N4O3S
Molecular Weight510.58 g/mol
Exact Mass510.19
IUPAC Nameethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CC(=O)c3sc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H29F3N4O3S/c1-2-34-22(33)17-8-12-30(13-9-17)19-7-6-16(15-28-19)14-18(32)20-21(24(25,26)27)29-23(35-20)31-10-4-3-5-11-31/h6-7,15,17H,2-5,8-14H2,1H3
InChIKeyZODAGZSLLHKJQB-UHFFFAOYSA-N
XLogP4.75
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.58
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)-3-methylpyridin-2-yl)piperidine-4-carboxylic acid
CID 15949077
1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 15950250
1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 44564682
1-(3-Fluoro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 44564684
US10744125, Example 1
CID 149118795
Ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylate
CID 11214821
Ethyl 1-[3-chloro-5-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 15949082
Ethyl 1-[3-chloro-5-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 15949272
Ethyl 1-[3-chloro-5-[[4-(2,3,4-trifluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 15949273
Ethyl 1-[3-chloro-5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 15949457
1-[(4-Fluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 58031515
1-[4-Methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
CID 58051116

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate (CID 58428518) is ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(CC(=O)c3sc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1.
What is the InChIKey of ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is ZODAGZSLLHKJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O3S/c1-2-34-22(33)17-8-12-30(13-9-17)19-7-6-16(15-28-19)14-18(32)20-21(24(25,26)27)29-23(35-20)31-10-4-3-5-11-31/h6-7,15,17H,2-5,8-14H2,1H3.
What are the key properties of ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate?
ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 510.58 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 58428518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).