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

C14H18N4OS — CID 126873080

IUPAC2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccnc1OCC1CCN(c2nncs2)CC1
InChIInChI=1S/C14H18N4OS/c1-11-3-2-6-15-13(11)19-9-12-4-7-18(8-5-12)14-17-16-10-20-14/h2-3,6,10,12H,4-5,7-9H2,1H3
InChIKeyRCSPHMQKPLYKJX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.54
Rot. Bonds4

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

2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126873080) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID126873080
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccnc1OCC1CCN(c2nncs2)CC1
InChIInChI=1S/C14H18N4OS/c1-11-3-2-6-15-13(11)19-9-12-4-7-18(8-5-12)14-17-16-10-20-14/h2-3,6,10,12H,4-5,7-9H2,1H3
InChIKeyRCSPHMQKPLYKJX-UHFFFAOYSA-N
XLogP2.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 126873080) is 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is Cc1cccnc1OCC1CCN(c2nncs2)CC1.
What is the InChIKey of 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is RCSPHMQKPLYKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-11-3-2-6-15-13(11)19-9-12-4-7-18(8-5-12)14-17-16-10-20-14/h2-3,6,10,12H,4-5,7-9H2,1H3.
What are the key properties of 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 290.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126873080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).