2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole

C15H20N4O3S — CID 163357902

IUPAC2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole
SMILESCOc1cc(OC)nc(N2CCCC(COc3nccs3)C2)n1
InChIInChI=1S/C15H20N4O3S/c1-20-12-8-13(21-2)18-14(17-12)19-6-3-4-11(9-19)10-22-15-16-5-7-23-15/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyZLQCHADCHSMLEY-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.25
Rot. Bonds6

About 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole

2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole (PubChem CID 163357902) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole
PubChem CID163357902
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole
SMILESCOc1cc(OC)nc(N2CCCC(COc3nccs3)C2)n1
InChIInChI=1S/C15H20N4O3S/c1-20-12-8-13(21-2)18-14(17-12)19-6-3-4-11(9-19)10-22-15-16-5-7-23-15/h5,7-8,11H,3-4,6,9-10H2,1-2H3
InChIKeyZLQCHADCHSMLEY-UHFFFAOYSA-N
XLogP2.25
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole?
The IUPAC name of 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole (CID 163357902) is 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole.
What is the SMILES notation for 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole?
The canonical SMILES for 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole is COc1cc(OC)nc(N2CCCC(COc3nccs3)C2)n1.
What is the InChIKey of 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole?
The InChIKey is ZLQCHADCHSMLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-20-12-8-13(21-2)18-14(17-12)19-6-3-4-11(9-19)10-22-15-16-5-7-23-15/h5,7-8,11H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole?
2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole has a molecular weight of 336.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole is sourced from PubChem (CID 163357902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).