5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole

C13H17N5O2S — CID 154580735

IUPAC5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCOc1cnc(OC2CCN(c3nc(C)ns3)CC2)nc1
InChIInChI=1S/C13H17N5O2S/c1-9-16-13(21-17-9)18-5-3-10(4-6-18)20-12-14-7-11(19-2)8-15-12/h7-8,10H,3-6H2,1-2H3
InChIKeyUBYQJAKTHFJPTL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.69
Rot. Bonds4

About 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 154580735) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID154580735
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCOc1cnc(OC2CCN(c3nc(C)ns3)CC2)nc1
InChIInChI=1S/C13H17N5O2S/c1-9-16-13(21-17-9)18-5-3-10(4-6-18)20-12-14-7-11(19-2)8-15-12/h7-8,10H,3-6H2,1-2H3
InChIKeyUBYQJAKTHFJPTL-UHFFFAOYSA-N
XLogP1.69
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154583457
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154581116
2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345881
4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 154580773
5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine
CID 155942310
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889
[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 154583750
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
CID 163349464
3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 163345938
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 154575527

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 154580735) is 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole is COc1cnc(OC2CCN(c3nc(C)ns3)CC2)nc1.
What is the InChIKey of 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is UBYQJAKTHFJPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-9-16-13(21-17-9)18-5-3-10(4-6-18)20-12-14-7-11(19-2)8-15-12/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 307.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 154580735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).