1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

C22H23N3O2S — CID 25122719

IUPAC1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1
InChIInChI=1S/C22H23N3O2S/c1-16-10-11-17(13-23-16)22-24-19(15-28-22)20-9-5-6-12-25(20)21(26)14-27-18-7-3-2-4-8-18/h2-4,7-8,10-11,13,15,20H,5-6,9,12,14H2,1H3/t20-/m1/s1
InChIKeyAPMFQFJKYPVNHQ-HXUWFJFHSA-N
MW393.51 g/mol
LogP4.65
Rot. Bonds5

About 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 25122719) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID25122719
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1
InChIInChI=1S/C22H23N3O2S/c1-16-10-11-17(13-23-16)22-24-19(15-28-22)20-9-5-6-12-25(20)21(26)14-27-18-7-3-2-4-8-18/h2-4,7-8,10-11,13,15,20H,5-6,9,12,14H2,1H3/t20-/m1/s1
InChIKeyAPMFQFJKYPVNHQ-HXUWFJFHSA-N
XLogP4.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (CID 25122719) is 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is Cc1ccc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cs2)cn1.
What is the InChIKey of 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is APMFQFJKYPVNHQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-16-10-11-17(13-23-16)22-24-19(15-28-22)20-9-5-6-12-25(20)21(26)14-27-18-7-3-2-4-8-18/h2-4,7-8,10-11,13,15,20H,5-6,9,12,14H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 393.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 25122719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).