2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone

C21H21N3O2S — CID 166104722

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C21H21N3O2S/c25-20(14-17-15-27-21(23-17)16-4-2-1-3-5-16)24-12-8-19(9-13-24)26-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14H2
InChIKeyJAVNHFRTUHLUPZ-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone

2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 166104722) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID166104722
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C21H21N3O2S/c25-20(14-17-15-27-21(23-17)16-4-2-1-3-5-16)24-12-8-19(9-13-24)26-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14H2
InChIKeyJAVNHFRTUHLUPZ-UHFFFAOYSA-N
XLogP3.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861
1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 155494152
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
N'-methyl-4-phenoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427074
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 166338837
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080929

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 166104722) is 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone is O=C(Cc1csc(-c2ccccc2)n1)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is JAVNHFRTUHLUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(14-17-15-27-21(23-17)16-4-2-1-3-5-16)24-12-8-19(9-13-24)26-18-6-10-22-11-7-18/h1-7,10-11,15,19H,8-9,12-14H2.
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 379.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 166104722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).