2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole

C15H20N4OS — CID 75477890

IUPAC2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCCOCC1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C15H20N4OS/c1-2-20-11-12-6-9-19(10-7-12)15-18-17-14(21-15)13-5-3-4-8-16-13/h3-5,8,12H,2,6-7,9-11H2,1H3
InChIKeyWDXACNUYJXOWCF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole

2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 75477890) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID75477890
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCCOCC1CCN(c2nnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C15H20N4OS/c1-2-20-11-12-6-9-19(10-7-12)15-18-17-14(21-15)13-5-3-4-8-16-13/h3-5,8,12H,2,6-7,9-11H2,1H3
InChIKeyWDXACNUYJXOWCF-UHFFFAOYSA-N
XLogP2.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole (CID 75477890) is 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole is CCOCC1CCN(c2nnc(-c3ccccn3)s2)CC1.
What is the InChIKey of 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is WDXACNUYJXOWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-20-11-12-6-9-19(10-7-12)15-18-17-14(21-15)13-5-3-4-8-16-13/h3-5,8,12H,2,6-7,9-11H2,1H3.
What are the key properties of 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole?
2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 304.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)piperidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 75477890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).