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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Related Compounds

4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
2-methyl-5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazine
CID 123758655
2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663442
4-methyl-2-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-1,3-thiazole
CID 155976206
1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanol
CID 106837283
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 115300939
methyl 2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 70845805
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298
N-[2-methoxy-4-(methylsulfonylcarbamoyl)phenyl]-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 70955212
4-[[2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole-4-carbonyl]amino]-3-(trifluoromethoxy)benzoic acid
CID 67528560
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861

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).