5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

C16H14F3N3O3S — CID 119947546

IUPAC5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)cn1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)12-8-26-13(21-12)10-2-1-5-22(7-10)14(23)9-3-4-11(15(24)25)20-6-9/h3-4,6,8,10H,1-2,5,7H2,(H,24,25)
InChIKeyWVDJVTQKPAQDEC-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.27
Rot. Bonds3

About 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119947546) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119947546
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)cn1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)12-8-26-13(21-12)10-2-1-5-22(7-10)14(23)9-3-4-11(15(24)25)20-6-9/h3-4,6,8,10H,1-2,5,7H2,(H,24,25)
InChIKeyWVDJVTQKPAQDEC-UHFFFAOYSA-N
XLogP3.27
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119183715
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 119186414
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051
2-pyrazolo[1,5-a]pyridin-3-yl-1-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 146092918
[1-tert-butyl-3-(2-chlorophenyl)pyrazol-4-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 146136492
(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 124595799
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 166359098
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
[3-(4-fluorophenyl)azepan-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 121146311
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119947546) is 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCCC(c3nc(C(F)(F)F)cs3)C2)cn1.
What is the InChIKey of 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is WVDJVTQKPAQDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c17-16(18,19)12-8-26-13(21-12)10-2-1-5-22(7-10)14(23)9-3-4-11(15(24)25)20-6-9/h3-4,6,8,10H,1-2,5,7H2,(H,24,25).
What are the key properties of 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 385.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119947546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).