2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole

C22H25N3OS — CID 162676326

IUPAC2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole
SMILESCCOC1(c2ncc(-c3cccnc3)s2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3OS/c1-2-26-22(21-24-16-20(27-21)19-9-6-12-23-15-19)10-13-25(14-11-22)17-18-7-4-3-5-8-18/h3-9,12,15-16H,2,10-11,13-14,17H2,1H3
InChIKeyHXHMJRNXGGXUSV-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.73
Rot. Bonds6

About 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole

2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole (PubChem CID 162676326) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole
PubChem CID162676326
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole
SMILESCCOC1(c2ncc(-c3cccnc3)s2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3OS/c1-2-26-22(21-24-16-20(27-21)19-9-6-12-23-15-19)10-13-25(14-11-22)17-18-7-4-3-5-8-18/h3-9,12,15-16H,2,10-11,13-14,17H2,1H3
InChIKeyHXHMJRNXGGXUSV-UHFFFAOYSA-N
XLogP4.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole (CID 162676326) is 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole is CCOC1(c2ncc(-c3cccnc3)s2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole?
The InChIKey is HXHMJRNXGGXUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-2-26-22(21-24-16-20(27-21)19-9-6-12-23-15-19)10-13-25(14-11-22)17-18-7-4-3-5-8-18/h3-9,12,15-16H,2,10-11,13-14,17H2,1H3.
What are the key properties of 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole?
2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole has a molecular weight of 379.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-ethoxypiperidin-4-yl)-5-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 162676326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).