2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole

C14H18N4OS — CID 163345455

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESCc1cc(C)nc(N2CCC(Oc3nccs3)CC2)n1
InChIInChI=1S/C14H18N4OS/c1-10-9-11(2)17-13(16-10)18-6-3-12(4-7-18)19-14-15-5-8-20-14/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyNSCSDNISERQQEG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.60
Rot. Bonds3

About 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole

2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 163345455) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole
PubChem CID163345455
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESCc1cc(C)nc(N2CCC(Oc3nccs3)CC2)n1
InChIInChI=1S/C14H18N4OS/c1-10-9-11(2)17-13(16-10)18-6-3-12(4-7-18)19-14-15-5-8-20-14/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeyNSCSDNISERQQEG-UHFFFAOYSA-N
XLogP2.60
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 163344407
2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 163345458
5-methyl-3-[[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]methyl]-1,2-oxazole
CID 163345490
4-cyclobutyloxy-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 122478866
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole
CID 171701828
2-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617931
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 121150333
(5-methylpyrazin-2-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617840
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 163348515
(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 86264475

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole (CID 163345455) is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole is Cc1cc(C)nc(N2CCC(Oc3nccs3)CC2)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is NSCSDNISERQQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-9-11(2)17-13(16-10)18-6-3-12(4-7-18)19-14-15-5-8-20-14/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole?
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 290.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 163345455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).