6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid

C15H14F3N3O2S — CID 122054479

IUPAC6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)11-8-24-13(20-11)9-3-2-6-21(7-9)12-5-1-4-10(19-12)14(22)23/h1,4-5,8-9H,2-3,6-7H2,(H,22,23)
InChIKeyHGKMHFGXMFJUSU-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.64
Rot. Bonds3

About 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122054479) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122054479
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)11-8-24-13(20-11)9-3-2-6-21(7-9)12-5-1-4-10(19-12)14(22)23/h1,4-5,8-9H,2-3,6-7H2,(H,22,23)
InChIKeyHGKMHFGXMFJUSU-UHFFFAOYSA-N
XLogP3.64
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 122054479) is 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1.
What is the InChIKey of 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is HGKMHFGXMFJUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c16-15(17,18)11-8-24-13(20-11)9-3-2-6-21(7-9)12-5-1-4-10(19-12)14(22)23/h1,4-5,8-9H,2-3,6-7H2,(H,22,23).
What are the key properties of 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 357.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).