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

C15H20N4OS — CID 126875968

IUPAC2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccc(OCC2CCN(c3nnc(C)s3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-11-4-3-5-14(16-11)20-10-13-6-8-19(9-7-13)15-18-17-12(2)21-15/h3-5,13H,6-10H2,1-2H3
InChIKeyAKQLSOAGKCFQPW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.85
Rot. Bonds4

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

2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126875968) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID126875968
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccc(OCC2CCN(c3nnc(C)s3)CC2)n1
InChIInChI=1S/C15H20N4OS/c1-11-4-3-5-14(16-11)20-10-13-6-8-19(9-7-13)15-18-17-12(2)21-15/h3-5,13H,6-10H2,1-2H3
InChIKeyAKQLSOAGKCFQPW-UHFFFAOYSA-N
XLogP2.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 126875968) is 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is Cc1cccc(OCC2CCN(c3nnc(C)s3)CC2)n1.
What is the InChIKey of 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is AKQLSOAGKCFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-4-3-5-14(16-11)20-10-13-6-8-19(9-7-13)15-18-17-12(2)21-15/h3-5,13H,6-10H2,1-2H3.
What are the key properties of 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 304.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126875968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).