1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone

C15H18N4O2S — CID 56816199

IUPAC1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCOC1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H18N4O2S/c1-21-12-3-7-19(8-4-12)13(20)9-11-10-22-15(18-11)14-16-5-2-6-17-14/h2,5-6,10,12H,3-4,7-9H2,1H3
InChIKeyMZDUIXMWFMCLDG-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.78
Rot. Bonds4

About 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone

1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 56816199) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID56816199
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCOC1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H18N4O2S/c1-21-12-3-7-19(8-4-12)13(20)9-11-10-22-15(18-11)14-16-5-2-6-17-14/h2,5-6,10,12H,3-4,7-9H2,1H3
InChIKeyMZDUIXMWFMCLDG-UHFFFAOYSA-N
XLogP1.78
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (CID 56816199) is 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is COC1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is MZDUIXMWFMCLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-21-12-3-7-19(8-4-12)13(20)9-11-10-22-15(18-11)14-16-5-2-6-17-14/h2,5-6,10,12H,3-4,7-9H2,1H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 318.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 56816199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).