4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole

C13H16N4OS — CID 70955018

IUPAC4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C13H16N4OS/c1-10-9-19-13(16-10)17-7-3-11(4-8-17)18-12-14-5-2-6-15-12/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKeyUDAKSLCMHOFGBJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.29
Rot. Bonds3

About 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole

4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole (PubChem CID 70955018) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole
PubChem CID70955018
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C13H16N4OS/c1-10-9-19-13(16-10)17-7-3-11(4-8-17)18-12-14-5-2-6-15-12/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKeyUDAKSLCMHOFGBJ-UHFFFAOYSA-N
XLogP2.29
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole (CID 70955018) is 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole is Cc1csc(N2CCC(Oc3ncccn3)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole?
The InChIKey is UDAKSLCMHOFGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-10-9-19-13(16-10)17-7-3-11(4-8-17)18-12-14-5-2-6-15-12/h2,5-6,9,11H,3-4,7-8H2,1H3.
What are the key properties of 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole?
4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole has a molecular weight of 276.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 70955018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).