2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

C16H17F3N4O3S — CID 66601457

IUPAC2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C16H17F3N4O3S/c1-9-6-12(16(17,18)19)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-11(8-27-14)15(25)26/h6,8,10H,2-5,7H2,1H3,(H,25,26)
InChIKeyJZNPWTCYRWYSEY-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.77
Rot. Bonds4

About 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66601457) has the molecular formula C16H17F3N4O3S and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID66601457
Molecular FormulaC16H17F3N4O3S
Molecular Weight402.40 g/mol
Exact Mass402.10
IUPAC Name2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C16H17F3N4O3S/c1-9-6-12(16(17,18)19)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-11(8-27-14)15(25)26/h6,8,10H,2-5,7H2,1H3,(H,25,26)
InChIKeyJZNPWTCYRWYSEY-UHFFFAOYSA-N
XLogP2.77
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid 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

(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 56779825
[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 72044129
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
2-[Methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 67254023
2-{1-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-thiazole-4-carboxylic acid hydroxyamide
CID 86703091
Cyclohexyl 2-(1-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylate
CID 44468373
Cyclohexyl 2-(1-{2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]ethanethioyl}piperidin-4-yl)-1,3-thiazole-4-carboxylate
CID 44468507
2-(1-{[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 44469184
1-[4-[4-(2-Methylbutyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57742219
Ethyl 2-(1-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}piperidin-4-yl)-1,3-thiazole-4-carboxylate
CID 58242731
1-[4-(4-Acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethanone
CID 58242734
1-[3-(4-Acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58242747

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid (CID 66601457) is 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1.
What is the InChIKey of 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JZNPWTCYRWYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3S/c1-9-6-12(16(17,18)19)21-23(9)7-13(24)22-4-2-10(3-5-22)14-20-11(8-27-14)15(25)26/h6,8,10H,2-5,7H2,1H3,(H,25,26).
What are the key properties of 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 402.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66601457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).