2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole

C13H17N5OS — CID 171701845

IUPAC2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cncc(OC2CCN(c3nnc(C)s3)CC2)n1
InChIInChI=1S/C13H17N5OS/c1-9-7-14-8-12(15-9)19-11-3-5-18(6-4-11)13-17-16-10(2)20-13/h7-8,11H,3-6H2,1-2H3
InChIKeyKKSDYWLJZWKFEA-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole

2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 171701845) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
PubChem CID171701845
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cncc(OC2CCN(c3nnc(C)s3)CC2)n1
InChIInChI=1S/C13H17N5OS/c1-9-7-14-8-12(15-9)19-11-3-5-18(6-4-11)13-17-16-10(2)20-13/h7-8,11H,3-6H2,1-2H3
InChIKeyKKSDYWLJZWKFEA-UHFFFAOYSA-N
XLogP1.99
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 163348981
2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-thiazole
CID 171701828
6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
CID 171702679
4,6-difluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
CID 171702707
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171702056
2-methyl-6-(1-pyrimidin-4-ylpiperidin-4-yl)oxypyrazine
CID 171701885
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700909
6-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 171701933
12-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 171702701
2-(4-bromopiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 80674326
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126951544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole (CID 171701845) is 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole is Cc1cncc(OC2CCN(c3nnc(C)s3)CC2)n1.
What is the InChIKey of 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is KKSDYWLJZWKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-7-14-8-12(15-9)19-11-3-5-18(6-4-11)13-17-16-10(2)20-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 291.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 171701845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).