7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H20N4O3S — CID 95299204

IUPAC7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN3CCCC[C@@H]3C3OCCO3)nc2s1
InChIInChI=1S/C15H20N4O3S/c1-10-17-19-13(20)8-11(16-15(19)23-10)9-18-5-3-2-4-12(18)14-21-6-7-22-14/h8,12,14H,2-7,9H2,1H3/t12-/m1/s1
InChIKeyARHXPBMGIAMWQG-GFCCVEGCSA-N
MW336.42 g/mol
LogP1.19
Rot. Bonds3

About 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 95299204) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID95299204
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN3CCCC[C@@H]3C3OCCO3)nc2s1
InChIInChI=1S/C15H20N4O3S/c1-10-17-19-13(20)8-11(16-15(19)23-10)9-18-5-3-2-4-12(18)14-21-6-7-22-14/h8,12,14H,2-7,9H2,1H3/t12-/m1/s1
InChIKeyARHXPBMGIAMWQG-GFCCVEGCSA-N
XLogP1.19
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 95299204) is 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1nn2c(=O)cc(CN3CCCC[C@@H]3C3OCCO3)nc2s1.
What is the InChIKey of 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ARHXPBMGIAMWQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-17-19-13(20)8-11(16-15(19)23-10)9-18-5-3-2-4-12(18)14-21-6-7-22-14/h8,12,14H,2-7,9H2,1H3/t12-/m1/s1.
What are the key properties of 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 336.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 95299204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).