2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C18H26N4O3S — CID 133453070

IUPAC2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CCC(OCC4CCOC4)CC3)sc2n1
InChIInChI=1S/C18H26N4O3S/c1-2-3-14-10-16(23)22-17(19-14)26-18(20-22)21-7-4-15(5-8-21)25-12-13-6-9-24-11-13/h10,13,15H,2-9,11-12H2,1H3
InChIKeyZFTBIRXFPMGXGG-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.13
Rot. Bonds6

About 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133453070) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133453070
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCCc1cc(=O)n2nc(N3CCC(OCC4CCOC4)CC3)sc2n1
InChIInChI=1S/C18H26N4O3S/c1-2-3-14-10-16(23)22-17(19-14)26-18(20-22)21-7-4-15(5-8-21)25-12-13-6-9-24-11-13/h10,13,15H,2-9,11-12H2,1H3
InChIKeyZFTBIRXFPMGXGG-UHFFFAOYSA-N
XLogP2.13
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133453070) is 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCCc1cc(=O)n2nc(N3CCC(OCC4CCOC4)CC3)sc2n1.
What is the InChIKey of 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZFTBIRXFPMGXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-2-3-14-10-16(23)22-17(19-14)26-18(20-22)21-7-4-15(5-8-21)25-12-13-6-9-24-11-13/h10,13,15H,2-9,11-12H2,1H3.
What are the key properties of 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 378.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133453070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).