(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone

C21H21N3O2S — CID 159745251

IUPAC(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCCCC1COc1cccnc1
InChIInChI=1S/C21H21N3O2S/c25-21(19-15-27-20(23-19)16-7-2-1-3-8-16)24-12-5-4-9-17(24)14-26-18-10-6-11-22-13-18/h1-3,6-8,10-11,13,15,17H,4-5,9,12,14H2
InChIKeyUECYCWOKRRXQIV-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.28
Rot. Bonds5

About (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone

(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 159745251) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
PubChem CID159745251
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCCCC1COc1cccnc1
InChIInChI=1S/C21H21N3O2S/c25-21(19-15-27-20(23-19)16-7-2-1-3-8-16)24-12-5-4-9-17(24)14-26-18-10-6-11-22-13-18/h1-3,6-8,10-11,13,15,17H,4-5,9,12,14H2
InChIKeyUECYCWOKRRXQIV-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone (CID 159745251) is (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone is O=C(c1csc(-c2ccccc2)n1)N1CCCCC1COc1cccnc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is UECYCWOKRRXQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-21(19-15-27-20(23-19)16-7-2-1-3-8-16)24-12-5-4-9-17(24)14-26-18-10-6-11-22-13-18/h1-3,6-8,10-11,13,15,17H,4-5,9,12,14H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone?
(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 379.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 159745251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).