2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

C17H24N4OS — CID 171705107

IUPAC2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1cccc(OCC2CCN(c3nnc(C(C)C)s3)CC2)n1
InChIInChI=1S/C17H24N4OS/c1-12(2)16-19-20-17(23-16)21-9-7-14(8-10-21)11-22-15-6-4-5-13(3)18-15/h4-6,12,14H,7-11H2,1-3H3
InChIKeyIFVMVJPMAJQYKU-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.66
Rot. Bonds5

About 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole

2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 171705107) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID171705107
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
SMILESCc1cccc(OCC2CCN(c3nnc(C(C)C)s3)CC2)n1
InChIInChI=1S/C17H24N4OS/c1-12(2)16-19-20-17(23-16)21-9-7-14(8-10-21)11-22-15-6-4-5-13(3)18-15/h4-6,12,14H,7-11H2,1-3H3
InChIKeyIFVMVJPMAJQYKU-UHFFFAOYSA-N
XLogP3.66
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole (CID 171705107) is 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is Cc1cccc(OCC2CCN(c3nnc(C(C)C)s3)CC2)n1.
What is the InChIKey of 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is IFVMVJPMAJQYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12(2)16-19-20-17(23-16)21-9-7-14(8-10-21)11-22-15-6-4-5-13(3)18-15/h4-6,12,14H,7-11H2,1-3H3.
What are the key properties of 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole?
2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 332.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 171705107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).