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

C22H21N3O4S — CID 25117749

IUPAC6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1
InChIInChI=1S/C22H21N3O4S/c26-20(13-29-15-7-2-1-3-8-15)25-12-5-4-11-19(25)21-24-18(14-30-21)16-9-6-10-17(23-16)22(27)28/h1-3,6-10,14,19H,4-5,11-13H2,(H,27,28)/t19-/m1/s1
InChIKeyCJFFGATUESSIRW-LJQANCHMSA-N
MW423.49 g/mol
LogP4.04
Rot. Bonds6

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

6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 25117749) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
PubChem CID25117749
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1
InChIInChI=1S/C22H21N3O4S/c26-20(13-29-15-7-2-1-3-8-15)25-12-5-4-11-19(25)21-24-18(14-30-21)16-9-6-10-17(23-16)22(27)28/h1-3,6-10,14,19H,4-5,11-13H2,(H,27,28)/t19-/m1/s1
InChIKeyCJFFGATUESSIRW-LJQANCHMSA-N
XLogP4.04
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-{4-[(R)-1-(2-phenoxy-acetyl)-piperidin-2-yl]-thiazol-2-yl}-benzoic acid
CID 25117747
4-[4-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]benzoic acid
CID 25117748
4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoic acid
CID 25117751
3-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoic acid
CID 25117753
3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoic acid
CID 25118115
methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate
CID 25121630
methyl 4-[4-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]benzoate
CID 25123086
US11660293, Example 137
CID 166003527
2-phenoxy-1-[(2R)-2-[2-(3,4,5-trifluoro-6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 67376555
[(3S,4R)-3-[(4-fluorophenoxy)methyl]-4-methyl-2-azabicyclo[3.1.1]heptan-2-yl]-[2-methyl-5-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 137526440
[3-[(4-Fluorophenoxy)methyl]-4-methyl-2-azabicyclo[3.1.1]heptan-2-yl]-[2-methyl-5-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 137526442
6-{[(Furan-2-yl)methyl][(thiophen-2-yl)methyl]carbamoyl}pyridine-2-carboxylic acid
CID 75513264

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (CID 25117749) is 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1.
What is the InChIKey of 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is CJFFGATUESSIRW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N3O4S/c26-20(13-29-15-7-2-1-3-8-15)25-12-5-4-11-19(25)21-24-18(14-30-21)16-9-6-10-17(23-16)22(27)28/h1-3,6-10,14,19H,4-5,11-13H2,(H,27,28)/t19-/m1/s1.
What are the key properties of 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 423.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 25117749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).