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

C23H23N3O4S — CID 25121630

IUPACmethyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1
InChIInChI=1S/C23H23N3O4S/c1-29-23(28)18-11-7-10-17(24-18)19-15-31-22(25-19)20-12-5-6-13-26(20)21(27)14-30-16-8-3-2-4-9-16/h2-4,7-11,15,20H,5-6,12-14H2,1H3/t20-/m1/s1
InChIKeyRYOHLMHLHSGVEP-HXUWFJFHSA-N
MW437.52 g/mol
LogP4.12
Rot. Bonds6

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

methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate (PubChem CID 25121630) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate
PubChem CID25121630
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Namemethyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1
InChIInChI=1S/C23H23N3O4S/c1-29-23(28)18-11-7-10-17(24-18)19-15-31-22(25-19)20-12-5-6-13-26(20)21(27)14-30-16-8-3-2-4-9-16/h2-4,7-11,15,20H,5-6,12-14H2,1H3/t20-/m1/s1
InChIKeyRYOHLMHLHSGVEP-HXUWFJFHSA-N
XLogP4.12
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 25095157
4-[4-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]benzoic acid
CID 25117748
6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 25117749
4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoic acid
CID 25117751
sodium 3-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoate
CID 25117752
methyl 3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoate
CID 25118114
3-[5-methyl-2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoic acid
CID 25118115
2-phenoxy-1-[(2R)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 25123084
methyl 4-[4-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-2-yl]benzoate
CID 25123086
US11660293, Example 137
CID 166003527
1-(4-((4-(Furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)-2-phenoxypropan-1-one
CID 44060509
[(1R,4S,6R)-4-[(6-fluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 49803374

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate (CID 25121630) is methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)n1.
What is the InChIKey of methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The InChIKey is RYOHLMHLHSGVEP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-29-23(28)18-11-7-10-17(24-18)19-15-31-22(25-19)20-12-5-6-13-26(20)21(27)14-30-16-8-3-2-4-9-16/h2-4,7-11,15,20H,5-6,12-14H2,1H3/t20-/m1/s1.
What are the key properties of methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate?
methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate has a molecular weight of 437.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 25121630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).