ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate

C24H22ClF3N4O3S — CID 11214821

IUPACethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2Cl)CC1
InChIInChI=1S/C24H22ClF3N4O3S/c1-2-35-22(34)14-6-8-32(9-7-14)20-18(25)11-16(12-29-20)21(33)31-23-30-19(13-36-23)15-4-3-5-17(10-15)24(26,27)28/h3-5,10-14H,2,6-9H2,1H3,(H,30,31,33)
InChIKeyHCKZNUSSXLGTPW-UHFFFAOYSA-N
MW538.98 g/mol
LogP5.91
Rot. Bonds6

About ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate

ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 11214821) has the molecular formula C24H22ClF3N4O3S and a molecular weight of 538.98 g/mol. Its IUPAC name is ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
PubChem CID11214821
Molecular FormulaC24H22ClF3N4O3S
Molecular Weight538.98 g/mol
Exact Mass538.11
IUPAC Nameethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2Cl)CC1
InChIInChI=1S/C24H22ClF3N4O3S/c1-2-35-22(34)14-6-8-32(9-7-14)20-18(25)11-16(12-29-20)21(33)31-23-30-19(13-36-23)15-4-3-5-17(10-15)24(26,27)28/h3-5,10-14H,2,6-9H2,1H3,(H,30,31,33)
InChIKeyHCKZNUSSXLGTPW-UHFFFAOYSA-N
XLogP5.91
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.98
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)-3-methylpyridin-2-yl)piperidine-4-carboxylic acid
CID 15949077
1-(3-Chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 15949822
4-(3-Chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperazine-2-carboxylic acid
CID 15949825
1-(3-Chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-3-carboxylic acid
CID 15949911
1-(5-(4-(2-Fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 15950250
1-(3-Chloro-5-(5-fluoro-4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 16659674
6-(4-(2H-tetrazol-5-yl)piperidin-1-yl)-5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)nicotinamide
CID 44564599
1-(3-Bromo-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 44564645
6-(4-carbamoylpiperidin-1-yl)-5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)nicotinamide
CID 44565185
5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-6-(4-sulfamoylpiperidin-1-yl)nicotinamide
CID 44565186
1-(3-Chloro-5-(4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 46911716

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate (CID 11214821) is ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2Cl)CC1.
What is the InChIKey of ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is HCKZNUSSXLGTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N4O3S/c1-2-35-22(34)14-6-8-32(9-7-14)20-18(25)11-16(12-29-20)21(33)31-23-30-19(13-36-23)15-4-3-5-17(10-15)24(26,27)28/h3-5,10-14H,2,6-9H2,1H3,(H,30,31,33).
What are the key properties of ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate?
ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 538.98 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-chloro-5-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 11214821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).