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

C19H20N4O2S — CID 55829270

IUPAC7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN3CCC(C(=O)c4ccccc4)CC3)nc2s1
InChIInChI=1S/C19H20N4O2S/c1-13-21-23-17(24)11-16(20-19(23)26-13)12-22-9-7-15(8-10-22)18(25)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3
InChIKeyBPSDIAFIEUHZFC-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.55
Rot. Bonds4

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

7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55829270) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID55829270
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)cc(CN3CCC(C(=O)c4ccccc4)CC3)nc2s1
InChIInChI=1S/C19H20N4O2S/c1-13-21-23-17(24)11-16(20-19(23)26-13)12-22-9-7-15(8-10-22)18(25)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3
InChIKeyBPSDIAFIEUHZFC-UHFFFAOYSA-N
XLogP2.55
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 55829270) is 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1nn2c(=O)cc(CN3CCC(C(=O)c4ccccc4)CC3)nc2s1.
What is the InChIKey of 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BPSDIAFIEUHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-21-23-17(24)11-16(20-19(23)26-13)12-22-9-7-15(8-10-22)18(25)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3.
What are the key properties of 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 368.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-benzoylpiperidin-1-yl)methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55829270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).