4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile

C23H21N3O2S — CID 25121985

IUPAC4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C23H21N3O2S/c24-14-17-9-11-18(12-10-17)20-16-29-23(25-20)21-8-4-5-13-26(21)22(27)15-28-19-6-2-1-3-7-19/h1-3,6-7,9-12,16,21H,4-5,8,13,15H2/t21-/m1/s1
InChIKeyYJGXHNXYHSBYDO-OAQYLSRUSA-N
MW403.51 g/mol
LogP4.81
Rot. Bonds5

About 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 25121985) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID25121985
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C23H21N3O2S/c24-14-17-9-11-18(12-10-17)20-16-29-23(25-20)21-8-4-5-13-26(21)22(27)15-28-19-6-2-1-3-7-19/h1-3,6-7,9-12,16,21H,4-5,8,13,15H2/t21-/m1/s1
InChIKeyYJGXHNXYHSBYDO-OAQYLSRUSA-N
XLogP4.81
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-Benzyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175894
N-Phenethyl-2-phenoxy-N-(4-p-tolyl-thiazol-2-yl)-acetamide
CID 1175901
2-(3-chlorophenoxy)-N-(1-((2-(4-chlorophenyl)thiazol-4-yl)methyl)piperidin-4-yl)acetamide
CID 44562479
N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 54752786
N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 56640962
4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzamide
CID 25117746
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
sodium 3-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzoate
CID 25117752
2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 25121269
1-[(2R)-2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
CID 25121626

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile (CID 25121985) is 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile is N#Cc1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is YJGXHNXYHSBYDO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N3O2S/c24-14-17-9-11-18(12-10-17)20-16-29-23(25-20)21-8-4-5-13-26(21)22(27)15-28-19-6-2-1-3-7-19/h1-3,6-7,9-12,16,21H,4-5,8,13,15H2/t21-/m1/s1.
What are the key properties of 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 403.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 25121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).