2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole

C15H25N3O2S — CID 133453144

IUPAC2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(N2CCC(OCC3CCOC3)CC2)s1
InChIInChI=1S/C15H25N3O2S/c1-2-3-14-16-17-15(21-14)18-7-4-13(5-8-18)20-11-12-6-9-19-10-12/h12-13H,2-11H2,1H3
InChIKeyYXTHQISQMILTOT-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole

2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole (PubChem CID 133453144) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole
PubChem CID133453144
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(N2CCC(OCC3CCOC3)CC2)s1
InChIInChI=1S/C15H25N3O2S/c1-2-3-14-16-17-15(21-14)18-7-4-13(5-8-18)20-11-12-6-9-19-10-12/h12-13H,2-11H2,1H3
InChIKeyYXTHQISQMILTOT-UHFFFAOYSA-N
XLogP2.51
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole (CID 133453144) is 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole is CCCc1nnc(N2CCC(OCC3CCOC3)CC2)s1.
What is the InChIKey of 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole?
The InChIKey is YXTHQISQMILTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-3-14-16-17-15(21-14)18-7-4-13(5-8-18)20-11-12-6-9-19-10-12/h12-13H,2-11H2,1H3.
What are the key properties of 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole?
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole has a molecular weight of 311.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 133453144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).